2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylquinazolin-4-olate

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylquinazolin-4-olate Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)quinazolin-4-olate CAS Name: 2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4-quinazolinolate IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)quinazolin-4-olate Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)quinazolin-4-olate Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C18H17N5O2/c24-17-13-5-1-2-6-14(13)20-16(21-17)18(25)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2,(H,20,21,24)