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

Systemtic Name: 5-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NC(=NC=C2Cl)SC)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NC(=NC=C2Cl)SC)[NH+]3CCCCC3

InChI

InChI=1S/C20H25ClN4O2S/c1-27-15-8-6-14(7-9-15)17(25-10-4-3-5-11-25)13-22-19(26)18-16(21)12-23-20(24-18)28-2/h6-9,12,17H,3-5,10-11,13H2,1-2H3,(H,22,26)/p+1/t17-/m0/s1