1-[4-(phenylmethyl)phenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride

Systemtic Name: 1-[4-(phenylmethyl)phenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride Openeye Name: 1-(4-benzylphenoxy)-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride CAS Name: 1-[4-(phenylmethyl)phenoxy]-3-(4-phenyl-1-pyridin-1-iumyl)-2-propanol chloride IUPAC Name: 1-(4-benzylphenoxy)-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride Traditional Name: 1-(4-benzylphenoxy)-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride Formula: C27H26ClNO2 MolecularWeight: 431.95384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCC(C[N+]3=CC=C(C=C3)C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCC(C[N+]3=CC=C(C=C3)C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C27H26NO2.ClH/c29-26(20-28-17-15-25(16-18-28)24-9-5-2-6-10-24)21-30-27-13-11-23(12-14-27)19-22-7-3-1-4-8-22;/h1-18,26,29H,19-21H2;1H/q+1;/p-1