2-[2-(4-bromanylbutoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one

Systemtic Name: 2-[2-(4-bromanylbutoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Openeye Name: 2-[2-(4-bromobutoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one CAS Name: 2-[2-(4-bromobutoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one IUPAC Name: 2-[2-(4-bromobutoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Traditional Name: 2-[2-(4-bromobutoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Formula: C20H23BrNO2S+ MolecularWeight: 421.37112

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2S[N+](C1=O)(C)C3=CC=CC=C3OCCCCBr

Isomeric SMILES

CC1C2=CC=CC=C2S[N+](C1=O)(C)C3=CC=CC=C3OCCCCBr

InChI

InChI=1S/C20H23BrNO2S/c1-15-16-9-3-6-12-19(16)25-22(2,20(15)23)17-10-4-5-11-18(17)24-14-8-7-13-21/h3-6,9-12,15H,7-8,13-14H2,1-2H3/q+1