methyl 2,4-bis(oxidanylidene)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2,4-bis(oxidanylidene)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2,4-dioxo-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxylate CAS Name: 2,4-dioxo-3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dioxo-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxylate Traditional Name: 2,4-diketo-3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C23H25N3O4/c1-30-22(28)16-9-10-19-20(13-16)24-23(29)26(21(19)27)15-18-8-4-3-7-17(18)14-25-11-5-2-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,24,29)/p+1