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

Systemtic Name: 3-oxidanidyl-3-[1-(1-phenylcyclononyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-oxido-3-[1-(1-phenylcyclononyl)-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-[1-(1-phenylcyclononyl)-4-piperidinyl]-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-[1-(1-phenylcyclononyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-oxido-3-[1-(1-phenylcyclononyl)-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(CCC1)(C2=CC=CC=C2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

Isomeric SMILES

C1CCCCC(CCC1)(C2=CC=CC=C2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

InChI

InChI=1S/C27H37N3O/c31-30(22-28-25-14-8-9-15-26(25)30)24-16-20-29(21-17-24)27(23-12-6-5-7-13-23)18-10-3-1-2-4-11-19-27/h5-9,12-15,24,28H,1-4,10-11,16-22H2