4-methyl-1-[5-[2-[5-(4-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide

Systemtic Name: 4-methyl-1-[5-[2-[5-(4-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide Openeye Name: 4-methyl-1-[5-[2-[5-(4-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide CAS Name: 4-methyl-1-[5-[2-[5-(4-methyl-1-pyridin-1-iumyl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide IUPAC Name: 4-methyl-1-[5-[2-[5-(4-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide Traditional Name: 4-methyl-1-[5-[2-[5-(4-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide Formula: C28H30Br2N2 MolecularWeight: 554.3592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCCC#CC2=CC=CC=C2C#CCCC[N+]3=CC=C(C=C3)C.[Br-].[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CCCC#CC2=CC=CC=C2C#CCCC[N+]3=CC=C(C=C3)C.[Br-].[Br-]

InChI

InChI=1S/C28H30N2.2BrH/c1-25-15-21-29(22-16-25)19-9-3-5-11-27-13-7-8-14-28(27)12-6-4-10-20-30-23-17-26(2)18-24-30;;/h7-8,13-18,21-24H,3-4,9-10,19-20H2,1-2H3;2*1H/q+2;;/p-2