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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-pyridylmethyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(2-pyridinylmethyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-pyridylmethyl)piperidin-1-ium-2-yl]acetamide Formula: C21H26N7O+ MolecularWeight: 392.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC=CC=N4

InChI

InChI=1S/C21H25N7O/c1-16-12-20(26-21(25-16)27-10-9-23-15-27)28(14-17-6-2-4-8-24-17)11-5-3-7-18(28)13-19(22)29/h2,4,6,8-10,12,15,18H,3,5,7,11,13-14H2,1H3,(H-,22,29)/p+1