(4R)-4-(4-methylphenyl)-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (4R)-4-(4-methylphenyl)-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4R)-2-oxo-6-(piperidin-1-ium-1-ylmethyl)-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-methylphenyl)-2-oxo-6-(1-piperidin-1-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate IUPAC Name: (4R)-4-(4-methylphenyl)-2-oxo-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-(piperidin-1-ium-1-ylmethyl)-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C[NH+]3CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=C(NC(=O)N2)C[NH+]3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C18H23N3O3/c1-12-5-7-13(8-6-12)16-15(17(22)23)14(19-18(24)20-16)11-21-9-3-2-4-10-21/h5-8,16H,2-4,9-11H2,1H3,(H,22,23)(H2,19,20,24)/t16-/m1/s1