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

Systemtic Name: [4-[2-oxidanyl-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone chloride Openeye Name: [4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone chloride CAS Name: [4-[2-hydroxy-3-(4-phenyl-1-pyridin-1-iumyl)propoxy]phenyl]-phenylmethanone chloride IUPAC Name: [4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-phenylmethanone chloride Traditional Name: [4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone chloride Formula: C27H24ClNO3 MolecularWeight: 445.93736

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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=CC=C4)O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H24NO3.ClH/c29-25(19-28-17-15-22(16-18-28)21-7-3-1-4-8-21)20-31-26-13-11-24(12-14-26)27(30)23-9-5-2-6-10-23;/h1-18,25,29H,19-20H2;1H/q+1;/p-1