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

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one Openeye Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one CAS Name: 3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]quinazolin-4-one Formula: C19H20N5O2+ MolecularWeight: 350.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C19H19N5O2/c25-18(13-24-14-21-16-6-2-1-5-15(16)19(24)26)23-11-9-22(10-12-23)17-7-3-4-8-20-17/h1-8,14H,9-13H2/p+1