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

Systemtic Name: 4-[(2-methylphenyl)methyl]-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-methylphenyl)methyl]-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-(2-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3S/c1-17-7-5-6-10-19(17)16-22-11-13-23(14-12-22)20(24)21-15-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,21,24)/p+1