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

Systemtic Name: 3-oxidanidyl-3-(1-phenylcycloundecyl)-2-piperidin-4-yl-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-oxido-3-(1-phenylcycloundecyl)-2-(4-piperidyl)-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-(1-phenylcycloundecyl)-2-(4-piperidinyl)-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-(1-phenylcycloundecyl)-2-piperidin-4-yl-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-oxido-3-(1-phenylcycloundecyl)-2-(4-piperidyl)-1,2-dihydrobenzimidazol-3-ium Formula: C29H41N3O MolecularWeight: 447.65534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCC1)(C2=CC=CC=C2)[N+]3(C(NC4=CC=CC=C43)C5CCNCC5)[O-]

Isomeric SMILES

C1CCCCCC(CCCC1)(C2=CC=CC=C2)[N+]3(C(NC4=CC=CC=C43)C5CCNCC5)[O-]

InChI

InChI=1S/C29H41N3O/c33-32(27-17-11-10-16-26(27)31-28(32)24-18-22-30-23-19-24)29(25-14-8-7-9-15-25)20-12-5-3-1-2-4-6-13-21-29/h7-11,14-17,24,28,30-31H,1-6,12-13,18-23H2