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

Systemtic Name: ethyl (4R)-4-methyl-2-oxidanylidene-6-[[(2S)-2-(phenylmethyl)pyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[[(2S)-2-benzylpyrrolidin-1-ium-1-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-methyl-2-oxo-6-[[(2S)-2-(phenylmethyl)-1-pyrrolidin-1-iumyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[[(2S)-2-benzylpyrrolidin-1-ium-1-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(2S)-2-benzylpyrrolidin-1-ium-1-yl]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)C[NH+]2CCCC2CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)C[NH+]2CCC[C@H]2CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3/c1-3-26-19(24)18-14(2)21-20(25)22-17(18)13-23-11-7-10-16(23)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3,(H2,21,22,25)/p+1/t14-,16+/m1/s1