methyl 4-[4-(3-butyl-3-oxidanidyl-2H-benzimidazol-3-ium-1-yl)piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-(3-butyl-3-oxidanidyl-2H-benzimidazol-3-ium-1-yl)piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(3-butyl-3-oxido-2H-benzimidazol-3-ium-1-yl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-(3-butyl-3-oxido-2H-benzimidazol-3-ium-1-yl)-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3-butyl-3-oxido-2H-benzimidazol-3-ium-1-yl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-butyl-3-oxido-2H-benzimidazol-3-ium-1-yl)piperidino]piperidine-1-carboxylic acid methyl ester Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CN(C2=CC=CC=C21)C3CCN(CC3)C4CCN(CC4)C(=O)OC)[O-]

Isomeric SMILES

CCCC[N+]1(CN(C2=CC=CC=C21)C3CCN(CC3)C4CCN(CC4)C(=O)OC)[O-]

InChI

InChI=1S/C23H36N4O3/c1-3-4-17-27(29)18-26(21-7-5-6-8-22(21)27)20-11-13-24(14-12-20)19-9-15-25(16-10-19)23(28)30-2/h5-8,19-20H,3-4,9-18H2,1-2H3