3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-(1-propyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propionamide Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C18H30N4OS/c1-5-10-22-11-8-15(9-12-22)21-17(23)7-6-16-13(2)19-18(24-4)20-14(16)3/h15H,5-12H2,1-4H3,(H,21,23)/p+1