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

Systemtic Name: methyl (4S)-4-(2-methylphenyl)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-methylphenyl)-6-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-methylphenyl)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(o-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C(NC(=O)N2)C3=CC=CC=C3C)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C([C@@H](NC(=O)N2)C3=CC=CC=C3C)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-13-8-10-23(11-9-13)12-16-17(19(24)26-3)18(22-20(25)21-16)15-7-5-4-6-14(15)2/h4-7,13,18H,8-12H2,1-3H3,(H2,21,22,25)/p+1/t18-/m0/s1