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

Systemtic Name: 2-[4-chloranyl-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-chloro-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-chloro-6-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-chloro-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-chloro-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C19H31ClN5OS+ MolecularWeight: 413.00034

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C19H30ClN5OS/c1-24-10-8-15(9-11-24)25(2)17-12-16(20)22-19(23-17)27-13-18(26)21-14-6-4-3-5-7-14/h12,14-15H,3-11,13H2,1-2H3,(H,21,26)/p+1