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

Systemtic Name: methyl 2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H26N3O5+ MolecularWeight: 424.46964

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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)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)OC

InChI

InChI=1S/C23H25N3O5/c1-29-15-7-9-17(20(12-15)30-2)19-5-4-10-26(19)13-21-24-18-11-14(23(28)31-3)6-8-16(18)22(27)25-21/h6-9,11-12,19H,4-5,10,13H2,1-3H3,(H,24,25,27)/p+1/t19-/m0/s1