methyl (4S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(4-methoxyphenyl)-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-2-oxo-6-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-methoxyphenyl)-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(4-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C[NH+]3CCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)C[NH+]3CCCC3)C(=O)OC

InChI

InChI=1S/C18H23N3O4/c1-24-13-7-5-12(6-8-13)16-15(17(22)25-2)14(19-18(23)20-16)11-21-9-3-4-10-21/h5-8,16H,3-4,9-11H2,1-2H3,(H2,19,20,23)/p+1/t16-/m0/s1