2-[4-chloranyl-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-isobutyl-acetamide CAS Name: 2-[[4-chloro-6-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-2-pyrimidinyl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-chloro-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide Traditional Name: 2-[[4-chloro-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrimidin-2-yl]thio]-N-isobutyl-acetamide Formula: C17H29ClN5OS+ MolecularWeight: 386.96306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NC(=CC(=N1)Cl)N(C)C2CC[NH+](CC2)C

Isomeric SMILES

CC(C)CNC(=O)CSC1=NC(=CC(=N1)Cl)N(C)C2CC[NH+](CC2)C

InChI

InChI=1S/C17H28ClN5OS/c1-12(2)10-19-16(24)11-25-17-20-14(18)9-15(21-17)23(4)13-5-7-22(3)8-6-13/h9,12-13H,5-8,10-11H2,1-4H3,(H,19,24)/p+1