methyl 2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(2S)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CCC[NH+]2CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-28-16-8-5-14(6-9-16)19-4-3-11-25(19)13-20-23-18-12-15(22(27)29-2)7-10-17(18)21(26)24-20/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,24,26)/p+1/t19-/m0/s1