2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(m-tolylmethyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-methylphenyl)methyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-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=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C22H26N6O/c1-17-5-4-6-18(13-17)15-28(12-3-2-7-19(28)14-20(23)29)21-8-9-25-22(26-21)27-11-10-24-16-27/h4-6,8-11,13,16,19H,2-3,7,12,14-15H2,1H3,(H-,23,29)/p+1