1-ethanoyl-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-one

Systemtic Name: 1-ethanoyl-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-one Openeye Name: 1-acetyl-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-one CAS Name: 1-acetyl-3-(1-phenylcycloheptyl)-1-(4-piperidinyl)-2-benzimidazol-1-iumone IUPAC Name: 1-acetyl-3-(1-phenylcycloheptyl)-1-piperidin-4-ylbenzimidazol-1-ium-2-one Traditional Name: 1-acetyl-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-one Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(C2=CC=CC=C2N(C1=O)C3(CCCCCC3)C4=CC=CC=C4)C5CCNCC5

Isomeric SMILES

CC(=O)[N+]1(C2=CC=CC=C2N(C1=O)C3(CCCCCC3)C4=CC=CC=C4)C5CCNCC5

InChI

InChI=1S/C27H34N3O2/c1-21(31)30(23-15-19-28-20-16-23)25-14-8-7-13-24(25)29(26(30)32)27(17-9-2-3-10-18-27)22-11-5-4-6-12-22/h4-8,11-14,23,28H,2-3,9-10,15-20H2,1H3/q+1