C=CCOC(C1CC2CC[N+]1(CC2C=C)CC3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=NC7=CC=CC=C67.[Br-]
CAS: 200132-54-3
Name: 4-[(R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline bromide
SMILES: C=CCOC(C1CC2CC[N+]1(CC2C=C)CC3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=NC7=CC=CC=C67.[Br-]

Molecular Processing

Molecular formula
C37H37BrN2O
Molecular weight
605.62
Exact mass
604.2089
XLogP
5.4
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
41
Rings
8
Aromatic rings
5
Saturated rings
3
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.27
Molar refractivity
165.98

Supplementary Information

InChIKey: QOWNPAUSLGATNL-JNKXQCINSA-M
Synonyme
O-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromideRefChem:855189606-421-1200132-54-3MFCD01632446O-Allyl-N-[(9-anthracenyl)methyl]cinchonidium bromideo-allyl-n-(9-anthracenylmethyl)-cinchonidinium bromideC37H37BrN2OSCHEMBL2000663SCHEMBL29542732QOWNPAUSLGATNL-JNKXQCINSA-M(-)-O-(9)-Allyl-N-(9-anthracenylmethyl) cinchonidiniumbromideCS-M3023AKOS037643930AS-40817SY0460580-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromideo-allyl-n-(9-anthracenylmethyl) cinchonidinium bromideO-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide, 90%(2s,4s,5r)-2-((r)-allyloxy(quinolin-4-yl)methyl)-1-(anthracen-9-ylmethyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane bromide4-[(R)-allyloxy-[(2S,4S,5R)-1-(9-anthrylmethyl)-5-vinyl-quinuclidin-1-ium-2-yl]methyl]quinoline;bromide
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