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

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-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-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-hydroxy-4-(methylthio)butyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-hydroxy-4-methylsulfanylbutyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[2-hydroxy-4-(methylthio)butyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C19H29N6O2S+ MolecularWeight: 405.53756

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C[N+]1(CCCCC1CC(=O)N)C2=NC(=NC=C2)N3C=CN=C3)O

Isomeric SMILES

CSCCC(C[N+]1(CCCCC1CC(=O)N)C2=NC(=NC=C2)N3C=CN=C3)O

InChI

InChI=1S/C19H28N6O2S/c1-28-11-6-16(26)13-25(10-3-2-4-15(25)12-17(20)27)18-5-7-22-19(23-18)24-9-8-21-14-24/h5,7-9,14-16,26H,2-4,6,10-13H2,1H3,(H-,20,27)/p+1