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

Systemtic Name: methyl 2-[[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-p-anisoylpiperazin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H25N4O5+ MolecularWeight: 437.4684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H24N4O5/c1-31-17-6-3-15(4-7-17)22(29)27-11-9-26(10-12-27)14-20-24-19-13-16(23(30)32-2)5-8-18(19)21(28)25-20/h3-8,13H,9-12,14H2,1-2H3,(H,24,25,28)/p+1