3-[2-[5-chloranyl-8-oxidanyl-1-(4-oxidanylidene-2H-benzotriazol-1-yl)-4H-quinolin-1-ium-1-yl]-1-oxidanyl-piperidin-3-yl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[5-chloranyl-8-oxidanyl-1-(4-oxidanylidene-2H-benzotriazol-1-yl)-4H-quinolin-1-ium-1-yl]-1-oxidanyl-piperidin-3-yl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[5-chloro-8-hydroxy-1-(4-oxo-2H-benzotriazol-1-yl)-4H-quinolin-1-ium-1-yl]-1-hydroxy-3-piperidyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[5-chloro-8-hydroxy-1-(4-oxo-2H-benzotriazol-1-yl)-4H-quinolin-1-ium-1-yl]-1-hydroxy-3-piperidinyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[5-chloro-8-hydroxy-1-(4-oxo-2H-benzotriazol-1-yl)-4H-quinolin-1-ium-1-yl]-1-hydroxypiperidin-3-yl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-[5-chloro-8-hydroxy-1-(4-keto-2H-benzotriazol-1-yl)-4H-quinolin-1-ium-1-yl]-1-hydroxy-3-piperidyl]-1,2,3-benzotriazin-4-one Formula: C27H24ClN8O4+ MolecularWeight: 559.98366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)O)[N+]2(C=CCC3=C(C=CC(=C32)O)Cl)N4C5=CC=CC(=O)C5=NN4)N6C(=O)C7=CC=CC=C7N=N6

Isomeric SMILES

C1CC(C(N(C1)O)[N+]2(C=CCC3=C(C=CC(=C32)O)Cl)N4C5=CC=CC(=O)C5=NN4)N6C(=O)C7=CC=CC=C7N=N6

InChI

InChI=1S/C27H23ClN8O4/c28-18-12-13-23(38)25-16(18)7-5-15-36(25,35-20-9-3-11-22(37)24(20)30-32-35)26-21(10-4-14-33(26)40)34-27(39)17-6-1-2-8-19(17)29-31-34/h1-3,5-6,8-9,11-13,15,21,26,40H,4,7,10,14H2,(H-,32,37,38)/p+1