6-methyl-3-oxidanidyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium

Systemtic Name: 6-methyl-3-oxidanidyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Openeye Name: 6-methyl-3-oxido-3-[1-(1-phenylcycloheptyl)-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium CAS Name: 6-methyl-3-oxido-3-[1-(1-phenylcycloheptyl)-4-piperidinyl]-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 6-methyl-3-oxido-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Traditional Name: 6-methyl-3-oxido-3-[1-(1-phenylcycloheptyl)-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](CN2)(C3CCN(CC3)C4(CCCCCC4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](CN2)(C3CCN(CC3)C4(CCCCCC4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C26H35N3O/c1-21-11-12-25-24(19-21)27-20-29(25,30)23-13-17-28(18-14-23)26(15-7-2-3-8-16-26)22-9-5-4-6-10-22/h4-6,9-12,19,23,27H,2-3,7-8,13-18,20H2,1H3