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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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