8-[4-[1-(oxiran-2-yloxymethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octyl 5,10-dimethylphenazine-2-carboxylate

Systemtic Name: 8-[4-[1-(oxiran-2-yloxymethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octyl 5,10-dimethylphenazine-2-carboxylate Openeye Name: 8-[4-[1-(oxiran-2-yloxymethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octyl 5,10-dimethylphenazine-2-carboxylate CAS Name: 5,10-dimethyl-2-phenazinecarboxylic acid 8-[4-[1-(2-oxiranyloxymethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]octyl ester IUPAC Name: 8-[4-[1-(oxiran-2-yloxymethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octyl 5,10-dimethylphenazine-2-carboxylate Traditional Name: 5,10-dimethylphenazine-2-carboxylic acid 8-[4-[1-(oxiran-2-yloxymethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octyl ester Formula: C36H42N4O4+2 MolecularWeight: 594.74308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OCCCCCCCC[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)COC5CO5)N(C6=CC=CC=C61)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OCCCCCCCC[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)COC5CO5)N(C6=CC=CC=C61)C

InChI

InChI=1S/C36H42N4O4/c1-37-31-11-7-8-12-32(31)38(2)34-25-30(13-14-33(34)37)36(41)42-24-10-6-4-3-5-9-19-39-20-15-28(16-21-39)29-17-22-40(23-18-29)27-44-35-26-43-35/h7-8,11-18,20-23,25,35H,3-6,9-10,19,24,26-27H2,1-2H3/q+2