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

Systemtic Name: 2-[1-(1,2-dicyanoethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(1,2-dicyanoethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(1,2-dicyanoethyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(1,2-dicyanoethyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(1,2-dicyanoethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C19H23N8O+ MolecularWeight: 379.43892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N8O/c1-14-10-18(25-19(24-14)26-8-7-23-13-26)27(16(12-21)5-6-20)9-3-2-4-15(27)11-17(22)28/h7-8,10,13,15-16H,2-5,9,11H2,1H3,(H-,22,28)/p+1