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

Systemtic Name: 2-[2-(4-bromanylbutoxy)phenyl]-4-methyl-2-propan-2-yl-4H-1,2-benzothiazin-2-ium-3-one Openeye Name: 2-[2-(4-bromobutoxy)phenyl]-2-isopropyl-4-methyl-4H-1,2-benzothiazin-2-ium-3-one CAS Name: 2-[2-(4-bromobutoxy)phenyl]-4-methyl-2-propan-2-yl-4H-1,2-benzothiazin-2-ium-3-one IUPAC Name: 2-[2-(4-bromobutoxy)phenyl]-4-methyl-2-propan-2-yl-4H-1,2-benzothiazin-2-ium-3-one Traditional Name: 2-[2-(4-bromobutoxy)phenyl]-2-isopropyl-4-methyl-4H-1,2-benzothiazin-2-ium-3-one Formula: C22H27BrNO2S+ MolecularWeight: 449.42428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrNO2S/c1-16(2)24(19-11-5-6-12-20(19)26-15-9-8-14-23)22(25)17(3)18-10-4-7-13-21(18)27-24/h4-7,10-13,16-17H,8-9,14-15H2,1-3H3/q+1