4-[4-[2-oxidanyl-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]carbonylbenzenecarbonitrile chloride

Systemtic Name: 4-[4-[2-oxidanyl-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]carbonylbenzenecarbonitrile chloride Openeye Name: 4-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]benzoyl]benzonitrile chloride CAS Name: 4-[[4-[2-hydroxy-3-(4-phenyl-1-pyridin-1-iumyl)propoxy]phenyl]-oxomethyl]benzonitrile chloride IUPAC Name: 4-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]benzoyl]benzonitrile chloride Traditional Name: 4-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]benzoyl]benzonitrile chloride Formula: C28H23ClN2O3 MolecularWeight: 470.94682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C#N)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C#N)O.[Cl-]

InChI

InChI=1S/C28H23N2O3.ClH/c29-18-21-6-8-24(9-7-21)28(32)25-10-12-27(13-11-25)33-20-26(31)19-30-16-14-23(15-17-30)22-4-2-1-3-5-22;/h1-17,26,31H,19-20H2;1H/q+1;/p-1