3-methyl-1-[5-[2-[5-(3-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide

Systemtic Name: 3-methyl-1-[5-[2-[5-(3-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide Openeye Name: 3-methyl-1-[5-[2-[5-(3-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide CAS Name: 3-methyl-1-[5-[2-[5-(3-methyl-1-pyridin-1-iumyl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide IUPAC Name: 3-methyl-1-[5-[2-[5-(3-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium dibromide Traditional Name: 3-methyl-1-[5-[2-[5-(3-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=C[N+](=CC=C1)CCCC#CC2=CC=CC=C2C#CCCC[N+]3=CC=CC(=C3)C.[Br-].[Br-]

Isomeric SMILES

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

InChI

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