N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(m-tolylmethyl)-N-(o-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methylphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-methylbenzyl)-N-(o-tolyl)piperazin-4-ium-1-carbothioamide Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3C

InChI

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