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

Systemtic Name: 3-oxidanidyl-3-[1-(1-thiophen-2-ylcyclohexyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-oxido-3-[1-[1-(2-thienyl)cyclohexyl]-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-[1-(1-thiophen-2-ylcyclohexyl)-4-piperidinyl]-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-[1-(1-thiophen-2-ylcyclohexyl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-oxido-3-[1-[1-(2-thienyl)cyclohexyl]-4-piperidyl]-1,2-dihydrobenzimidazol-3-ium Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=CS2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

Isomeric SMILES

C1CCC(CC1)(C2=CC=CS2)N3CCC(CC3)[N+]4(CNC5=CC=CC=C54)[O-]

InChI

InChI=1S/C22H29N3OS/c26-25(17-23-19-7-2-3-8-20(19)25)18-10-14-24(15-11-18)22(12-4-1-5-13-22)21-9-6-16-27-21/h2-3,6-9,16,18,23H,1,4-5,10-15,17H2