3-phenyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide

Systemtic Name: 3-phenyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide Openeye Name: 3-phenyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide CAS Name: 3-phenyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide IUPAC Name: 3-phenyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide Traditional Name: 3-phenyl-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide Formula: C28H24BrN MolecularWeight: 454.40086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C#CCCC[N+]3=CC=CC(=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C#CCCC[N+]3=CC=CC(=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H24N.BrH/c1-5-12-25(13-6-1)27-19-17-24(18-20-27)11-4-3-9-21-29-22-10-16-28(23-29)26-14-7-2-8-15-26;/h1-2,5-8,10,12-20,22-23H,3,9,21H2;1H/q+1;/p-1