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

Systemtic Name: 4-[4-[2-oxidanyl-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]benzoyl]benzonitrile CAS Name: 4-[[4-[2-hydroxy-3-(4-phenyl-1-pyridin-1-iumyl)propoxy]phenyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]benzoyl]benzonitrile Traditional Name: 4-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]benzoyl]benzonitrile Formula: C28H23N2O3+ MolecularWeight: 435.49382

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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

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

InChI

InChI=1S/C28H23N2O3/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/q+1