(2S)-N-(3,5-dimethylphenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: (2S)-N-(3,5-dimethylphenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: (2S)-N-(3,5-dimethylphenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: (2S)-N-(3,5-dimethylphenyl)-4-methyl-2-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: (2S)-N-(3,5-dimethylphenyl)-4-methyl-2-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: (2S)-N-(3,5-dimethylphenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CC[NH+](CC2C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CC[NH+](C[C@@H]2C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H25N3S/c1-15-11-16(2)13-18(12-15)21-20(24)23-10-9-22(3)14-19(23)17-7-5-4-6-8-17/h4-8,11-13,19H,9-10,14H2,1-3H3,(H,21,24)/p+1/t19-/m1/s1