2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(4-methylsulfanyl-2-oxidanyl-butyl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(4-methylsulfanyl-2-oxidanyl-butyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-hydroxy-4-methylsulfanyl-butyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-hydroxy-4-(methylthio)butyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-hydroxy-4-methylsulfanylbutyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[2-hydroxy-4-(methylthio)butyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C20H31N6O2S+ MolecularWeight: 419.56414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC(CCSC)O

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC(CCSC)O

InChI

InChI=1S/C20H30N6O2S/c1-15-11-19(24-20(23-15)25-8-7-22-14-25)26(13-17(27)6-10-29-2)9-4-3-5-16(26)12-18(21)28/h7-8,11,14,16-17,27H,3-6,9-10,12-13H2,1-2H3,(H-,21,28)/p+1