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

Systemtic Name: ethyl (4R)-6-[[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-ium-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-ium-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(2S)-2-[dimethylamino(oxo)methyl]-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-(dimethylcarbamoyl)pyrrolidin-1-ium-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-ium-1-yl]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C[NH+]3CCCC3C(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-4-29-20(27)17-15(13-25-12-8-11-16(25)19(26)24(2)3)22-21(28)23-18(17)14-9-6-5-7-10-14/h5-7,9-10,16,18H,4,8,11-13H2,1-3H3,(H2,22,23,28)/p+1/t16-,18+/m0/s1