9-[3-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]acridine dibromide

Systemtic Name: 9-[3-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]acridine dibromide Openeye Name: 9-[3-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]acridine dibromide CAS Name: 9-[3-[4-(1-butyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]propyl]acridine dibromide IUPAC Name: 9-[3-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]acridine dibromide Traditional Name: 9-[3-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]acridine dibromide Formula: C30H31Br2N3 MolecularWeight: 593.39524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCC3=C4C=CC=CC4=NC5=CC=CC=C53.[Br-].[Br-]

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCC3=C4C=CC=CC4=NC5=CC=CC=C53.[Br-].[Br-]

InChI

InChI=1S/C30H31N3.2BrH/c1-2-3-18-32-20-14-24(15-21-32)25-16-22-33(23-17-25)19-8-11-26-27-9-4-6-12-29(27)31-30-13-7-5-10-28(26)30;;/h4-7,9-10,12-17,20-23H,2-3,8,11,18-19H2,1H3;2*1H/q+2;;/p-2