3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C22H37N4OS+ MolecularWeight: 405.62038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2(CCCCC2)[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2(CCCCC2)[NH+]3CCCCC3

InChI

InChI=1S/C22H36N4OS/c1-17-19(18(2)25-21(24-17)28-3)10-11-20(27)23-16-22(12-6-4-7-13-22)26-14-8-5-9-15-26/h4-16H2,1-3H3,(H,23,27)/p+1