3-oxidanidyl-3-[1-(1-phenylcycloundecyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium

Systemtic Name: 3-oxidanidyl-3-[1-(1-phenylcycloundecyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-oxido-3-[1-(1-phenylcycloundecyl)-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-[1-(1-phenylcycloundecyl)-4-piperidinyl]-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-[1-(1-phenylcycloundecyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-oxido-3-[1-(1-phenylcycloundecyl)-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium Formula: C29H41N3O MolecularWeight: 447.65534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCC1)(C2=CC=CC=C2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

Isomeric SMILES

C1CCCCCC(CCCC1)(C2=CC=CC=C2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

InChI

InChI=1S/C29H41N3O/c33-32(24-30-27-16-10-11-17-28(27)32)26-18-22-31(23-19-26)29(25-14-8-7-9-15-25)20-12-5-3-1-2-4-6-13-21-29/h7-11,14-17,26,30H,1-6,12-13,18-24H2