3-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyl]-1,2,3-benzotriazin-4-one Formula: C20H23N6O2+ MolecularWeight: 379.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22N6O2/c27-19(25-14-12-24(13-15-25)18-8-3-4-10-21-18)9-5-11-26-20(28)16-6-1-2-7-17(16)22-23-26/h1-4,6-8,10H,5,9,11-15H2/p+1