methyl 4-[2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-3-quinazolinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetyl]amino]benzoic acid methyl ester Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C24H26N4O4/c1-32-24(31)17-9-11-18(12-10-17)25-22(29)16-28-21(15-27-13-5-2-6-14-27)26-20-8-4-3-7-19(20)23(28)30/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,25,29)/p+1