2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-methyl-1-oxidanyl-butyl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-methyl-1-oxidanyl-butyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(1-hydroxy-3-methyl-butyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(1-hydroxy-3-methylbutyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(1-hydroxy-3-methylbutyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(1-hydroxy-3-methyl-butyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C20H31N6O2+ MolecularWeight: 387.49914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O2/c1-14(2)10-19(28)26(9-5-4-6-16(26)12-17(21)27)18-11-15(3)23-20(24-18)25-8-7-22-13-25/h7-8,11,13-14,16,19,28H,4-6,9-10,12H2,1-3H3,(H-,21,27)/p+1