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

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(m-tolylmethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methylphenyl)methyl]-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-methylbenzyl)-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C19H24N3S+ MolecularWeight: 326.47896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3S/c1-16-6-5-7-17(14-16)15-21-10-12-22(13-11-21)19(23)20-18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3,(H,20,23)/p+1