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

Systemtic Name: 3-oxidanidyl-3-[1-(1-phenylcyclohept-4-en-1-yl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-oxido-3-[1-(1-phenylcyclohept-4-en-1-yl)-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-[1-(1-phenyl-1-cyclohept-4-enyl)-4-piperidinyl]-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-[1-(1-phenylcyclohept-4-en-1-yl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-oxido-3-[1-(1-phenylcyclohept-4-en-1-yl)-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC=C1)(C2=CC=CC=C2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

Isomeric SMILES

C1CC(CCC=C1)(C2=CC=CC=C2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

InChI

InChI=1S/C25H31N3O/c29-28(20-26-23-12-6-7-13-24(23)28)22-14-18-27(19-15-22)25(16-8-1-2-9-17-25)21-10-4-3-5-11-21/h1-7,10-13,22,26H,8-9,14-20H2