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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H33N4OS+ MolecularWeight: 413.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H32N4OS/c1-17-21(18(2)26-23(25-17)29-3)11-12-22(28)24-15-19-7-9-20(10-8-19)16-27-13-5-4-6-14-27/h7-10H,4-6,11-16H2,1-3H3,(H,24,28)/p+1