methyl (1E)-N-(1-oxidanidyl-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)piperidine-1-carboximidothioate

Systemtic Name: methyl (1E)-N-(1-oxidanidyl-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)piperidine-1-carboximidothioate Openeye Name: methyl (1E)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)piperidine-1-carboximidothioate CAS Name: (1E)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)-1-piperidinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-(1-oxido-2,3,5-triphenyl-4H-imidazol-1-ium-2-yl)piperidine-1-carboximidothioate Traditional Name: (1E)-N-(3-oxido-1,2,4-triphenyl-3-imidazolin-3-ium-2-yl)piperidine-1-carboximidothioic acid methyl ester Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CS/C(=N/C1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)/N5CCCCC5

InChI

InChI=1S/C28H30N4OS/c1-34-27(30-20-12-5-13-21-30)29-28(24-16-8-3-9-17-24)31(25-18-10-4-11-19-25)22-26(32(28)33)23-14-6-2-7-15-23/h2-4,6-11,14-19H,5,12-13,20-22H2,1H3/b29-27+