ethyl (4S)-4-(furan-2-yl)-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(furan-2-yl)-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-furyl)-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-furanyl)-2-oxo-6-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(furan-2-yl)-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-furyl)-2-keto-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)C[NH+]3CCCC3

InChI

InChI=1S/C16H21N3O4/c1-2-22-15(20)13-11(10-19-7-3-4-8-19)17-16(21)18-14(13)12-6-5-9-23-12/h5-6,9,14H,2-4,7-8,10H2,1H3,(H2,17,18,21)/p+1/t14-/m1/s1