(2S)-N-(3-ethylphenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

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