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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2CCCC([N+]2(CC3=CC=C(C=C3)NC(=O)C)N4C=CN=C4)CC(=O)N

Isomeric SMILES

CC1=NC=CC(=N1)C2CCCC([N+]2(CC3=CC=C(C=C3)NC(=O)C)N4C=CN=C4)CC(=O)N

InChI

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