ethyl (4S)-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5/c1-4-28-19(24)17-13(2)21-20(25)22-18(17)14-5-6-16(26-3)15(11-14)12-23-7-9-27-10-8-23/h5-6,11,18H,4,7-10,12H2,1-3H3,(H2,21,22,25)/p+1/t18-/m0/s1