3-oxidanidyl-3-(1-phenylcycloheptyl)-2-piperidin-4-yl-1,2-dihydrobenzimidazol-3-ium

Systemtic Name: 3-oxidanidyl-3-(1-phenylcycloheptyl)-2-piperidin-4-yl-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-oxido-3-(1-phenylcycloheptyl)-2-(4-piperidyl)-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-(1-phenylcycloheptyl)-2-(4-piperidinyl)-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-(1-phenylcycloheptyl)-2-piperidin-4-yl-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-oxido-3-(1-phenylcycloheptyl)-2-(4-piperidyl)-1,2-dihydrobenzimidazol-3-ium Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)[N+]3(C(NC4=CC=CC=C43)C5CCNCC5)[O-]

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)[N+]3(C(NC4=CC=CC=C43)C5CCNCC5)[O-]

InChI

InChI=1S/C25H33N3O/c29-28(25(16-8-1-2-9-17-25)21-10-4-3-5-11-21)23-13-7-6-12-22(23)27-24(28)20-14-18-26-19-15-20/h3-7,10-13,20,24,26-27H,1-2,8-9,14-19H2