[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H25N3OS/c1-17-8-10-18(11-9-17)20(25)16-26-21(22-19-6-4-3-5-7-19)24-14-12-23(2)13-15-24/h3-11H,12-16H2,1-2H3/p+1