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

Systemtic Name: 3-oxidanidyl-3-(1-phenylcyclononyl)-2-piperidin-4-yl-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-oxido-3-(1-phenylcyclononyl)-2-(4-piperidyl)-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-(1-phenylcyclononyl)-2-(4-piperidinyl)-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-(1-phenylcyclononyl)-2-piperidin-4-yl-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-oxido-3-(1-phenylcyclononyl)-2-(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)[N+]3(C(NC4=CC=CC=C43)C5CCNCC5)[O-]

Isomeric SMILES

C1CCCCC(CCC1)(C2=CC=CC=C2)[N+]3(C(NC4=CC=CC=C43)C5CCNCC5)[O-]

InChI

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