2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(5-oxidanylpentyl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(5-oxidanylpentyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(5-hydroxypentyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(5-hydroxypentyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(5-hydroxypentyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(5-hydroxypentyl)-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)CCCCCO

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O2/c1-16-13-19(24-20(23-16)25-9-8-22-15-25)26(10-4-2-6-12-27)11-5-3-7-17(26)14-18(21)28/h8-9,13,15,17,27H,2-7,10-12,14H2,1H3,(H-,21,28)/p+1