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

Systemtic Name: 3-oxidanidyl-3-[1-(2-phenylpropan-2-yl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-[1-(1-methyl-1-phenyl-ethyl)-4-piperidyl]-3-oxido-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-[1-(2-phenylpropan-2-yl)-4-piperidinyl]-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-[1-(2-phenylpropan-2-yl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-(1-cumyl-4-piperidyl)-3-oxido-1,2-dihydrobenzimidazol-3-ium Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)N2CCC(CC2)[N+]3(CNC4=CC=CC=C43)[O-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)N2CCC(CC2)[N+]3(CNC4=CC=CC=C43)[O-]

InChI

InChI=1S/C21H27N3O/c1-21(2,17-8-4-3-5-9-17)23-14-12-18(13-15-23)24(25)16-22-19-10-6-7-11-20(19)24/h3-11,18,22H,12-16H2,1-2H3