4-[(2-methoxy-5-methyl-phenyl)methyl]-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-(o-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-methoxy-5-methyl-benzyl)-N-(o-tolyl)piperazin-4-ium-1-carbothioamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-16-8-9-20(25-3)18(14-16)15-23-10-12-24(13-11-23)21(26)22-19-7-5-4-6-17(19)2/h4-9,14H,10-13,15H2,1-3H3,(H,22,26)/p+1