ethyl (4R)-4-(4-methoxyphenyl)-2-oxidanylidene-6-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(4-methoxyphenyl)-2-oxidanylidene-6-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(4-methoxyphenyl)-2-oxo-6-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-methoxyphenyl)-2-oxo-6-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(4-methoxyphenyl)-2-oxo-6-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-(4-methoxyphenyl)-6-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N3O4+ MolecularWeight: 436.5234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C[NH+]3CCCC3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)OC)C[NH+]3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-3-32-24(29)22-20(16-28-15-7-10-21(28)17-8-5-4-6-9-17)26-25(30)27-23(22)18-11-13-19(31-2)14-12-18/h4-6,8-9,11-14,21,23H,3,7,10,15-16H2,1-2H3,(H2,26,27,30)/p+1/t21-,23+/m0/s1