2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(o-tolylmethyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(2-methylphenyl)methyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-methylbenzyl)piperidin-1-ium-2-yl]acetamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CC1=CC=CC=C1C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

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