2-(2H-benzotriazol-1-ium-1-yl)-5-(benzotriazol-1-yl)-3-piperidin-1-ium-1-yl-6-piperidin-1-yl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(2H-benzotriazol-1-ium-1-yl)-5-(benzotriazol-1-yl)-3-piperidin-1-ium-1-yl-6-piperidin-1-yl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(2H-benzotriazol-1-ium-1-yl)-5-(benzotriazol-1-yl)-3-piperidin-1-ium-1-yl-6-(1-piperidyl)-1,4-benzoquinone CAS Name: 2-(2H-benzotriazol-1-ium-1-yl)-5-(1-benzotriazolyl)-3-(1-piperidin-1-iumyl)-6-(1-piperidinyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(2H-benzotriazol-1-ium-1-yl)-5-(benzotriazol-1-yl)-3-piperidin-1-ium-1-yl-6-piperidin-1-ylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(2H-benzotriazol-1-ium-1-yl)-5-(benzotriazol-1-yl)-3-piperidin-1-ium-1-yl-6-piperidino-p-benzoquinone Formula: C28H30N8O2+2 MolecularWeight: 510.5902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=C(C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)N5CCCCC5)[N+]6=C7C=CC=CC7=NN6

Isomeric SMILES

C1CC[NH+](CC1)C2=C(C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)N5CCCCC5)[N+]6=C7C=CC=CC7=NN6

InChI

InChI=1S/C28H28N8O2/c37-27-23(33-15-7-1-8-16-33)25(35-21-13-5-3-11-19(21)29-31-35)28(38)24(34-17-9-2-10-18-34)26(27)36-22-14-6-4-12-20(22)30-32-36/h3-6,11-14H,1-2,7-10,15-18H2/p+2