methyl 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCC(CC3)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCC(CC3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H24N4O3/c1-31-24(30)16-6-7-18-21(12-16)26-22(27-23(18)29)14-28-10-8-15(9-11-28)19-13-25-20-5-3-2-4-17(19)20/h2-7,12-13,15,25H,8-11,14H2,1H3,(H,26,27,29)/p+1