N,N-dimethyl-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(m-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[(3-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(m-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=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N(C)C

InChI

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