ethyl (6R)-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-methyl-4-(4-morpholin-4-iumylmethyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-2-keto-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4/c1-3-26-18(23)16-15(13-22-9-11-25-12-10-22)21(2)19(24)20-17(16)14-7-5-4-6-8-14/h4-8,17H,3,9-13H2,1-2H3,(H,20,24)/p+1/t17-/m1/s1