(3-methylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (3-methylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(m-tolyl)methanethione CAS Name: (3-methylphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methylphenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(m-tolyl)methanethione Formula: C19H23N2S+ MolecularWeight: 311.46432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2S/c1-16-6-5-9-18(14-16)19(22)21-12-10-20(11-13-21)15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3/p+1