N,N-dimethyl-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(o-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(o-tolylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)N(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)N(C)C

InChI

InChI=1S/C16H24N4OS/c1-13-6-4-5-7-14(13)17-16(22)20-10-8-19(9-11-20)12-15(21)18(2)3/h4-7H,8-12H2,1-3H3,(H,17,22)/p+1