Name: (S)-1-(7-methyl-octyl)-3-(1-methyl-pyrrolidin-2-yl)-pyridinium bromide hydrobromide salt
SMILES:
Br.CC(C)CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]Molecular Processing
Molecular formula
C19H34Br2N2
Molecular weight
450.3
Exact mass
448.1089
XLogP
1.93
TPSA
7.12
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
3
Fraction Csp3
0.737
Molar refractivity
99.49
Supplementary Information
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