N-(3,5-dimethylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(3,5-dimethylphenyl)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+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3S/c1-16-12-17(2)14-19(13-16)21-20(24)23-10-8-22(9-11-23)15-18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3,(H,21,24)/p+1