4-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-(p-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-chlorobenzyl)-N-(4-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H25ClN3S+ MolecularWeight: 374.9506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3S/c1-16-2-4-17(5-3-16)14-22-20(25)24-12-10-23(11-13-24)15-18-6-8-19(21)9-7-18/h2-9H,10-15H2,1H3,(H,22,25)/p+1