methyl (4R)-4-(4-chlorophenyl)-6-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-4-(4-chlorophenyl)-6-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(4-chlorophenyl)-6-(morpholin-4-ium-4-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-chlorophenyl)-6-(4-morpholin-4-iumylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(4-chlorophenyl)-6-(morpholin-4-ium-4-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-chlorophenyl)-2-keto-6-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H21ClN3O4+ MolecularWeight: 366.81934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)Cl)C[NH+]3CCOCC3

InChI

InChI=1S/C17H20ClN3O4/c1-24-16(22)14-13(10-21-6-8-25-9-7-21)19-17(23)20-15(14)11-2-4-12(18)5-3-11/h2-5,15H,6-10H2,1H3,(H2,19,20,23)/p+1/t15-/m1/s1