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

Systemtic Name: ethyl (4R)-4-(4-chlorophenyl)-6-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H23ClN3O4+ MolecularWeight: 380.84592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O4/c1-2-26-17(23)15-14(11-22-7-9-25-10-8-22)20-18(24)21-16(15)12-3-5-13(19)6-4-12/h3-6,16H,2,7-11H2,1H3,(H2,20,21,24)/p+1/t16-/m1/s1