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

Systemtic Name: 2-[1-imidazol-1-yl-6-(2-methylpyrimidin-4-yl)-1-(5-oxidanylpentyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(5-hydroxypentyl)-1-imidazol-1-yl-6-(2-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(5-hydroxypentyl)-1-(1-imidazolyl)-6-(2-methyl-4-pyrimidinyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(5-hydroxypentyl)-1-imidazol-1-yl-6-(2-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(5-hydroxypentyl)-1-imidazol-1-yl-6-(2-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C20H31N6O2+ MolecularWeight: 387.49914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2CCCC([N+]2(CCCCCO)N3C=CN=C3)CC(=O)N

Isomeric SMILES

CC1=NC=CC(=N1)C2CCCC([N+]2(CCCCCO)N3C=CN=C3)CC(=O)N

InChI

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