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

Systemtic Name: N-(3-methylphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(m-tolyl)-4-(m-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methylphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-methylbenzyl)-N-(m-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(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC(=C3)C

InChI

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