2-[4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C16H24ClN4OS+ MolecularWeight: 355.90596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4OS/c1-11-8-12(2)15(13(17)9-11)19-16(23)21-6-4-20(5-7-21)10-14(22)18-3/h8-9H,4-7,10H2,1-3H3,(H,18,22)(H,19,23)/p+1