cyclobutane; [1-[3-(2-hydroxyethyl)phenyl]-2-(methylamino)-2-oxidanylidene-ethyl]-diphenyl-sulfanium; bromide

Systemtic Name: cyclobutane; [1-[3-(2-hydroxyethyl)phenyl]-2-(methylamino)-2-oxidanylidene-ethyl]-diphenyl-sulfanium; bromide Openeye Name: cyclobutane; [1-[3-(2-hydroxyethyl)phenyl]-2-(methylamino)-2-oxo-ethyl]-diphenyl-sulfonium; bromide CAS Name: cyclobutane; [1-[3-(2-hydroxyethyl)phenyl]-2-(methylamino)-2-oxoethyl]-diphenylsulfonium; bromide IUPAC Name: cyclobutane; [1-[3-(2-hydroxyethyl)phenyl]-2-(methylamino)-2-oxoethyl]-diphenylsulfanium; bromide Traditional Name: cyclobutane; [1-[3-(2-hydroxyethyl)phenyl]-2-keto-2-(methylamino)ethyl]-diphenyl-sulfonium; bromide Formula: C27H32BrNO2S MolecularWeight: 514.51748

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(C1=CC=CC(=C1)CCO)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1CCC1.[Br-]

Isomeric SMILES

CNC(=O)C(C1=CC=CC(=C1)CCO)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1CCC1.[Br-]

InChI

InChI=1S/C23H23NO2S.C4H8.BrH/c1-24-23(26)22(19-10-8-9-18(17-19)15-16-25)27(20-11-4-2-5-12-20)21-13-6-3-7-14-21;1-2-4-3-1;/h2-14,17,22,25H,15-16H2,1H3;1-4H2;1H