3-oxidanidyl-3-[1-(1-thiophen-2-ylcycloheptyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium

Systemtic Name: 3-oxidanidyl-3-[1-(1-thiophen-2-ylcycloheptyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-oxido-3-[1-[1-(2-thienyl)cycloheptyl]-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-[1-(1-thiophen-2-ylcycloheptyl)-4-piperidinyl]-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-[1-(1-thiophen-2-ylcycloheptyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-oxido-3-[1-[1-(2-thienyl)cycloheptyl]-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CS2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CS2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

InChI

InChI=1S/C23H31N3OS/c27-26(18-24-20-8-3-4-9-21(20)26)19-11-15-25(16-12-19)23(22-10-7-17-28-22)13-5-1-2-6-14-23/h3-4,7-10,17,19,24H,1-2,5-6,11-16,18H2