2-[2-(4-bromanylbutoxy)-5-chloranyl-phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one

Systemtic Name: 2-[2-(4-bromanylbutoxy)-5-chloranyl-phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Openeye Name: 2-[2-(4-bromobutoxy)-5-chloro-phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one CAS Name: 2-[2-(4-bromobutoxy)-5-chlorophenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one IUPAC Name: 2-[2-(4-bromobutoxy)-5-chlorophenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Traditional Name: 2-[2-(4-bromobutoxy)-5-chloro-phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Formula: C20H22BrClNO2S+ MolecularWeight: 455.81618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrClNO2S/c1-14-16-7-3-4-8-19(16)26-23(2,20(14)24)17-13-15(22)9-10-18(17)25-12-6-5-11-21/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3/q+1