phenyl-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide

Systemtic Name: phenyl-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide Openeye Name: phenyl-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide CAS Name: phenyl-[4-[3-(4-phenyl-1-pyridin-1-iumyl)propoxy]phenyl]methanone bromide IUPAC Name: phenyl-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide Traditional Name: phenyl-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide Formula: C27H24BrNO2 MolecularWeight: 474.38896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCOC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCOC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H24NO2.BrH/c29-27(24-10-5-2-6-11-24)25-12-14-26(15-13-25)30-21-7-18-28-19-16-23(17-20-28)22-8-3-1-4-9-22;/h1-6,8-17,19-20H,7,18,21H2;1H/q+1;/p-1