1-[5-[2-(5-quinolin-1-ium-1-ylpent-1-ynyl)phenyl]pent-4-ynyl]quinolin-1-ium dibromide

Systemtic Name: 1-[5-[2-(5-quinolin-1-ium-1-ylpent-1-ynyl)phenyl]pent-4-ynyl]quinolin-1-ium dibromide Openeye Name: 1-[5-[2-(5-quinolin-1-ium-1-ylpent-1-ynyl)phenyl]pent-4-ynyl]quinolin-1-ium dibromide CAS Name: 1-[5-[2-[5-(1-quinolin-1-iumyl)pent-1-ynyl]phenyl]pent-4-ynyl]quinolin-1-ium dibromide IUPAC Name: 1-[5-[2-(5-quinolin-1-ium-1-ylpent-1-ynyl)phenyl]pent-4-ynyl]quinolin-1-ium dibromide Traditional Name: 1-[5-[2-(5-quinolin-1-ium-1-ylpent-1-ynyl)phenyl]pent-4-ynyl]quinolin-1-ium dibromide Formula: C34H30Br2N2 MolecularWeight: 626.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2CCCC#CC3=CC=CC=C3C#CCCC[N+]4=CC=CC5=CC=CC=C54.[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2CCCC#CC3=CC=CC=C3C#CCCC[N+]4=CC=CC5=CC=CC=C54.[Br-].[Br-]

InChI

InChI=1S/C34H30N2.2BrH/c1(11-25-35-27-13-21-31-19-7-9-23-33(31)35)3-15-29-17-5-6-18-30(29)16-4-2-12-26-36-28-14-22-32-20-8-10-24-34(32)36;;/h5-10,13-14,17-24,27-28H,1-2,11-12,25-26H2;2*1H/q+2;;/p-2