9-[11-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]undecyl]acridine dibromide

Systemtic Name: 9-[11-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]undecyl]acridine dibromide Openeye Name: 9-[11-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]undecyl]acridine dibromide CAS Name: 9-[11-[4-(1-butyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]undecyl]acridine dibromide IUPAC Name: 9-[11-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]undecyl]acridine dibromide Traditional Name: 9-[11-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]undecyl]acridine dibromide Formula: C38H47Br2N3 MolecularWeight: 705.60788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCCC3=C4C=CC=CC4=NC5=CC=CC=C53.[Br-].[Br-]

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCCC3=C4C=CC=CC4=NC5=CC=CC=C53.[Br-].[Br-]

InChI

InChI=1S/C38H47N3.2BrH/c1-2-3-26-40-28-22-32(23-29-40)33-24-30-41(31-25-33)27-16-10-8-6-4-5-7-9-11-17-34-35-18-12-14-20-37(35)39-38-21-15-13-19-36(34)38;;/h12-15,18-25,28-31H,2-11,16-17,26-27H2,1H3;2*1H/q+2;;/p-2