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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(phenylmethyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-benzyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(phenylmethyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-benzyl-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-benzyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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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=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O/c1-17-13-21(26-22(25-17)27-11-10-24-16-27)28(15-18-7-3-2-4-8-18)12-6-5-9-19(28)14-20(23)29/h2-4,7-8,10-11,13,16,19H,5-6,9,12,14-15H2,1H3,(H-,23,29)/p+1