2-oxidanidyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzo[f]benzotriazol-2-ium-4,9-dione

Systemtic Name: 2-oxidanidyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 2-oxido-3-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 2-oxido-3-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]benzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 2-oxido-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 2-oxido-3-[3-[4-(2-pyridyl)piperazino]propyl]benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=C(C(=O)C4=CC=CC=C4C3=O)N=[N+]2[O-])C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCN2C3=C(C(=O)C4=CC=CC=C4C3=O)N=[N+]2[O-])C5=CC=CC=N5

InChI

InChI=1S/C22H22N6O3/c29-21-16-6-1-2-7-17(16)22(30)20-19(21)24-28(31)27(20)11-5-10-25-12-14-26(15-13-25)18-8-3-4-9-23-18/h1-4,6-9H,5,10-15H2