CC(=O)OC1CCN(C2CC3(C)C(CCC4C3CCC3(C)C4CC(N4CC[N+](C)(C)CC4)C3OC(C)=O)CC2OC(C)=O)CC1
SMILES: CC(=O)OC1CCN(C2CC3(C)C(CCC4C3CCC3(C)C4CC(N4CC[N+](C)(C)CC4)C3OC(C)=O)CC2OC(C)=O)CC1

Molecular Processing

Molecular formula
C36H60N3O6+
Molecular weight
630.89
Exact mass
630.4477
XLogP
4.27
TPSA
85.38
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
45
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
10
Undefined stereo
10
Formal charge
1
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
170.95

Supplementary Information

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