methyl (4R)-4-(4-methoxyphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-4-(4-methoxyphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(4-methoxyphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-methoxyphenyl)-6-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(4-methoxyphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-(4-methoxyphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=C([C@H](NC(=O)N2)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-13-6-4-5-11-23(13)12-16-17(19(24)27-3)18(22-20(25)21-16)14-7-9-15(26-2)10-8-14/h7-10,13,18H,4-6,11-12H2,1-3H3,(H2,21,22,25)/p+1/t13-,18-/m1/s1