5-chloranyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]pyrimidine-4-carboxamide Formula: C20H26ClN4OS+ MolecularWeight: 405.96464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=NC(=NC=C2Cl)SC)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=NC(=NC=C2Cl)SC)[NH+]3CCCCC3

InChI

InChI=1S/C20H25ClN4OS/c1-14-6-8-15(9-7-14)17(25-10-4-3-5-11-25)13-22-19(26)18-16(21)12-23-20(24-18)27-2/h6-9,12,17H,3-5,10-11,13H2,1-2H3,(H,22,26)/p+1/t17-/m0/s1