[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 3-(1-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 3-(1-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-quinazolin-2-yl)propionic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C23H26N5O4+ MolecularWeight: 436.48364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H25N5O4/c1-26-18-7-3-2-6-17(18)23(31)25-20(26)9-10-22(30)32-16-21(29)28-14-12-27(13-15-28)19-8-4-5-11-24-19/h2-8,11H,9-10,12-16H2,1H3/p+1