1-[4-(2-nitrophenyl)sulfanylphenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride

Systemtic Name: 1-[4-(2-nitrophenyl)sulfanylphenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride Openeye Name: 1-[4-(2-nitrophenyl)sulfanylphenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride CAS Name: 1-[4-[(2-nitrophenyl)thio]phenoxy]-3-(4-phenyl-1-pyridin-1-iumyl)-2-propanol chloride IUPAC Name: 1-[4-(2-nitrophenyl)sulfanylphenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride Traditional Name: 1-[4-[(2-nitrophenyl)thio]phenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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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)SC4=CC=CC=C4[N+](=O)[O-])O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)SC4=CC=CC=C4[N+](=O)[O-])O.[Cl-]

InChI

InChI=1S/C26H23N2O4S.ClH/c29-22(18-27-16-14-21(15-17-27)20-6-2-1-3-7-20)19-32-23-10-12-24(13-11-23)33-26-9-5-4-8-25(26)28(30)31;/h1-17,22,29H,18-19H2;1H/q+1;/p-1