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

Systemtic Name: [2-methyl-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]-2-methyl-phenyl]-phenyl-methanone chloride CAS Name: [4-[2-hydroxy-3-(4-phenyl-1-pyridin-1-iumyl)propoxy]-2-methylphenyl]-phenylmethanone chloride IUPAC Name: [4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]-2-methylphenyl]-phenylmethanone chloride Traditional Name: [4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]-2-methyl-phenyl]-phenyl-methanone chloride Formula: C28H26ClNO3 MolecularWeight: 459.96394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[N+]2=CC=C(C=C2)C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(C[N+]2=CC=C(C=C2)C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C28H26NO3.ClH/c1-21-18-26(12-13-27(21)28(31)24-10-6-3-7-11-24)32-20-25(30)19-29-16-14-23(15-17-29)22-8-4-2-5-9-22;/h2-18,25,30H,19-20H2,1H3;1H/q+1;/p-1