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

Systemtic Name: methyl 4-oxidanylidene-2-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H24N5O3+ MolecularWeight: 394.44696

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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)CC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H23N5O3/c1-29-21(28)15-5-6-17-18(12-15)23-19(24-20(17)27)14-26-10-8-25(9-11-26)13-16-4-2-3-7-22-16/h2-7,12H,8-11,13-14H2,1H3,(H,23,24,27)/p+1