methyl (1E)-N-[3-(4-methylphenyl)-1-oxidanidyl-2,5-diphenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate

Systemtic Name: methyl (1E)-N-[3-(4-methylphenyl)-1-oxidanidyl-2,5-diphenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate Openeye Name: methyl (1E)-N-[1-oxido-2,5-diphenyl-3-(p-tolyl)-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate CAS Name: (1E)-N-[3-(4-methylphenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]-1-piperidinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-[3-(4-methylphenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate Traditional Name: (1E)-N-[3-oxido-2,4-diphenyl-1-(p-tolyl)-3-imidazolin-3-ium-2-yl]piperidine-1-carboximidothioic acid methyl ester Formula: C29H32N4OS MolecularWeight: 484.65558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(=[N+](C2(C3=CC=CC=C3)N=C(N4CCCCC4)SC)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(=[N+](C2(C3=CC=CC=C3)/N=C(\N4CCCCC4)/SC)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H32N4OS/c1-23-16-18-26(19-17-23)32-22-27(24-12-6-3-7-13-24)33(34)29(32,25-14-8-4-9-15-25)30-28(35-2)31-20-10-5-11-21-31/h3-4,6-9,12-19H,5,10-11,20-22H2,1-2H3/b30-28+