5-chloranyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C13H20ClN4OS+ MolecularWeight: 315.8421

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C13H19ClN4OS/c1-17-6-4-9(5-7-17)18(2)12(19)11-10(14)8-15-13(16-11)20-3/h8-9H,4-7H2,1-3H3/p+1