3-ethyl-1-[1-[4-[1-(3-ethylpyridin-1-ium-1-yl)butyl]phenyl]butyl]pyridin-1-ium dibromide

Systemtic Name: 3-ethyl-1-[1-[4-[1-(3-ethylpyridin-1-ium-1-yl)butyl]phenyl]butyl]pyridin-1-ium dibromide Openeye Name: 3-ethyl-1-[1-[4-[1-(3-ethylpyridin-1-ium-1-yl)butyl]phenyl]butyl]pyridin-1-ium dibromide CAS Name: 3-ethyl-1-[1-[4-[1-(3-ethyl-1-pyridin-1-iumyl)butyl]phenyl]butyl]pyridin-1-ium dibromide IUPAC Name: 3-ethyl-1-[1-[4-[1-(3-ethylpyridin-1-ium-1-yl)butyl]phenyl]butyl]pyridin-1-ium dibromide Traditional Name: 3-ethyl-1-[1-[4-[1-(3-ethylpyridin-1-ium-1-yl)butyl]phenyl]butyl]pyridin-1-ium dibromide Formula: C28H38Br2N2 MolecularWeight: 562.42272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C(CCC)[N+]2=CC=CC(=C2)CC)[N+]3=CC=CC(=C3)CC.[Br-].[Br-]

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(CCC)[N+]2=CC=CC(=C2)CC)[N+]3=CC=CC(=C3)CC.[Br-].[Br-]

InChI

InChI=1S/C28H38N2.2BrH/c1-5-11-27(29-19-9-13-23(7-3)21-29)25-15-17-26(18-16-25)28(12-6-2)30-20-10-14-24(8-4)22-30;;/h9-10,13-22,27-28H,5-8,11-12H2,1-4H3;2*1H/q+2;;/p-2