N-(2,5-dimethylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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