1-[2-(4-bromophenyl)sulfonyl-4-phenyl-pyridin-1-ium-1-yl]-3-phenoxy-propan-2-ol chloride

Systemtic Name: 1-[2-(4-bromophenyl)sulfonyl-4-phenyl-pyridin-1-ium-1-yl]-3-phenoxy-propan-2-ol chloride Openeye Name: 1-[2-(4-bromophenyl)sulfonyl-4-phenyl-pyridin-1-ium-1-yl]-3-phenoxy-propan-2-ol chloride CAS Name: 1-[2-(4-bromophenyl)sulfonyl-4-phenyl-1-pyridin-1-iumyl]-3-phenoxy-2-propanol chloride IUPAC Name: 1-[2-(4-bromophenyl)sulfonyl-4-phenylpyridin-1-ium-1-yl]-3-phenoxypropan-2-ol chloride Traditional Name: 1-(2-brosyl-4-phenyl-pyridin-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Formula: C26H23BrClNO4S MolecularWeight: 560.88712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23BrNO4S.ClH/c27-22-11-13-25(14-12-22)33(30,31)26-17-21(20-7-3-1-4-8-20)15-16-28(26)18-23(29)19-32-24-9-5-2-6-10-24;/h1-17,23,29H,18-19H2;1H/q+1;/p-1