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

Systemtic Name: 2-[1-[(4-acetamidophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(4-acetamidophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(4-acetamidophenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(4-acetamidophenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(4-acetamidobenzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C24H30N7O2+ MolecularWeight: 448.5407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N7O2/c1-17-13-23(29-24(27-17)30-11-10-26-16-30)31(12-4-3-5-21(31)14-22(25)33)15-19-6-8-20(9-7-19)28-18(2)32/h6-11,13,16,21H,3-5,12,14-15H2,1-2H3,(H2-,25,28,32,33)/p+1