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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)(C2=CC=CC=C2)[N+]3(C(NC4=CC=CC=C43)C5CCNCC5)[O-]

Isomeric SMILES

C1CCCC(CCC1)(C2=CC=CC=C2)[N+]3(C(NC4=CC=CC=C43)C5CCNCC5)[O-]

InChI

InChI=1S/C26H35N3O/c30-29(26(22-11-5-4-6-12-22)17-9-2-1-3-10-18-26)24-14-8-7-13-23(24)28-25(29)21-15-19-27-20-16-21/h4-8,11-14,21,25,27-28H,1-3,9-10,15-20H2