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

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-methoxyphenyl)methyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-m-anisyl-piperidin-1-ium-2-yl]acetamide Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

COC1=CC=CC(=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C22H26N6O2/c1-30-19-7-4-5-17(13-19)15-28(12-3-2-6-18(28)14-20(23)29)21-8-9-25-22(26-21)27-11-10-24-16-27/h4-5,7-11,13,16,18H,2-3,6,12,14-15H2,1H3,(H-,23,29)/p+1