5-(8-isocyanatooctyl)-10-methyl-2,8-bis[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]phenazine

Systemtic Name: 5-(8-isocyanatooctyl)-10-methyl-2,8-bis[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]phenazine Openeye Name: 5-(8-isocyanatooctyl)-10-methyl-2,8-bis[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]phenazine CAS Name: 5-(8-isocyanatooctyl)-10-methyl-2,8-bis[4-[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]butyl]phenazine IUPAC Name: 5-(8-isocyanatooctyl)-10-methyl-2,8-bis[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]phenazine Traditional Name: 5-(8-isocyanatooctyl)-10-methyl-2,8-bis[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]phenazine Formula: C52H63N7O+4 MolecularWeight: 802.10292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)CCCC[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)C)N(C5=C1C=C(C=C5)CCCC[N+]6=CC=C(C=C6)C7=CC=[N+](C=C7)C)CCCCCCCCN=C=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)CCCC[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)C)N(C5=C1C=C(C=C5)CCCC[N+]6=CC=C(C=C6)C7=CC=[N+](C=C7)C)CCCCCCCCN=C=O

InChI

InChI=1S/C52H63N7O/c1-54-32-20-45(21-33-54)47-24-36-57(37-25-47)29-12-8-14-43-16-18-49-51(40-43)56(3)52-41-44(17-19-50(52)59(49)31-11-7-5-4-6-10-28-53-42-60)15-9-13-30-58-38-26-48(27-39-58)46-22-34-55(2)35-23-46/h16-27,32-41H,4-15,28-31H2,1-3H3/q+4