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

Systemtic Name: methyl (1E)-N-[3,5-bis(4-methylphenyl)-1-oxidanidyl-2-phenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate Openeye Name: methyl (1E)-N-[1-oxido-2-phenyl-3,5-bis(p-tolyl)-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate CAS Name: (1E)-N-[3,5-bis(4-methylphenyl)-1-oxido-2-phenyl-4H-imidazol-1-ium-2-yl]-1-piperidinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-[3,5-bis(4-methylphenyl)-1-oxido-2-phenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate Traditional Name: (1E)-N-[3-oxido-2-phenyl-1,4-bis(p-tolyl)-3-imidazolin-3-ium-2-yl]piperidine-1-carboximidothioic acid methyl ester Formula: C30H34N4OS MolecularWeight: 498.68216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(N(C2)C3=CC=C(C=C3)C)(C4=CC=CC=C4)N=C(N5CCCCC5)SC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(N(C2)C3=CC=C(C=C3)C)(C4=CC=CC=C4)/N=C(\N5CCCCC5)/SC)[O-]

InChI

InChI=1S/C30H34N4OS/c1-23-12-16-25(17-13-23)28-22-33(27-18-14-24(2)15-19-27)30(34(28)35,26-10-6-4-7-11-26)31-29(36-3)32-20-8-5-9-21-32/h4,6-7,10-19H,5,8-9,20-22H2,1-3H3/b31-29+