2-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one

Systemtic Name: 2-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one Openeye Name: 2-(2-oxo-2-piperazin-1-yl-ethyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one CAS Name: 2-[2-oxo-2-(1-piperazinyl)ethyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one IUPAC Name: 2-(2-oxo-2-piperazin-1-ylethyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one Traditional Name: 2-(2-keto-2-piperazino-ethyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one Formula: C12H16N5O2+ MolecularWeight: 262.28774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CN2C(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

C1CN(CCN1)C(=O)CN2C(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C12H15N5O2/c18-11(15-7-4-13-5-8-15)9-17-12(19)16-6-2-1-3-10(16)14-17/h1-3,6,13H,4-5,7-9H2/p+1