5-phenyl-10-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)butyl]phenazine bromide

Systemtic Name: 5-phenyl-10-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)butyl]phenazine bromide Openeye Name: 5-phenyl-10-[4-[4-(4-pyridyl)pyridin-1-ium-1-yl]butyl]phenazine bromide CAS Name: 5-phenyl-10-[4-(4-pyridin-4-yl-1-pyridin-1-iumyl)butyl]phenazine bromide IUPAC Name: 5-phenyl-10-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)butyl]phenazine bromide Traditional Name: 5-phenyl-10-[4-[4-(4-pyridyl)pyridin-1-ium-1-yl]butyl]phenazine bromide Formula: C32H29BrN4 MolecularWeight: 549.50346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N(C4=CC=CC=C42)CCCC[N+]5=CC=C(C=C5)C6=CC=NC=C6.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N(C4=CC=CC=C42)CCCC[N+]5=CC=C(C=C5)C6=CC=NC=C6.[Br-]

InChI

InChI=1S/C32H29N4.BrH/c1-2-10-28(11-3-1)36-31-14-6-4-12-29(31)35(30-13-5-7-15-32(30)36)23-9-8-22-34-24-18-27(19-25-34)26-16-20-33-21-17-26;/h1-7,10-21,24-25H,8-9,22-23H2;1H/q+1;/p-1