N-(2-methylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(o-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methylphenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(o-tolyl)piperazin-4-ium-1-carbothioamide Formula: C19H24N3S+ MolecularWeight: 326.47896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3S/c1-16-7-5-6-10-18(16)20-19(23)22-13-11-21(12-14-22)15-17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,20,23)/p+1