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

Systemtic Name: methyl 2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C19H22N4O4/c1-27-19(26)13-4-5-14-15(10-13)20-16(21-17(14)24)11-22-6-8-23(9-7-22)18(25)12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,21,24)/p+1