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

Systemtic Name: 2-[1-(1-cyanocyclohexyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(1-cyanocyclohexyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(1-cyanocyclohexyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(1-cyanocyclohexyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(1-cyanocyclohexyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C22H30N7O+ MolecularWeight: 408.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)C4(CCCCC4)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)C4(CCCCC4)C#N

InChI

InChI=1S/C22H29N7O/c1-17-13-20(27-21(26-17)28-11-10-25-16-28)29(22(15-23)8-4-2-5-9-22)12-6-3-7-18(29)14-19(24)30/h10-11,13,16,18H,2-9,12,14H2,1H3,(H-,24,30)/p+1