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

Systemtic Name: 2-[2-[2-(2-bromoethyloxy)ethoxy]phenyl]-4-methyl-2-propan-2-yl-4H-1,2-benzothiazin-2-ium-3-one Openeye Name: 2-[2-[2-(2-bromoethoxy)ethoxy]phenyl]-2-isopropyl-4-methyl-4H-1,2-benzothiazin-2-ium-3-one CAS Name: 2-[2-[2-(2-bromoethoxy)ethoxy]phenyl]-4-methyl-2-propan-2-yl-4H-1,2-benzothiazin-2-ium-3-one IUPAC Name: 2-[2-[2-(2-bromoethoxy)ethoxy]phenyl]-4-methyl-2-propan-2-yl-4H-1,2-benzothiazin-2-ium-3-one Traditional Name: 2-[2-[2-(2-bromoethoxy)ethoxy]phenyl]-2-isopropyl-4-methyl-4H-1,2-benzothiazin-2-ium-3-one Formula: C22H27BrNO3S+ MolecularWeight: 465.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2S[N+](C1=O)(C3=CC=CC=C3OCCOCCBr)C(C)C

Isomeric SMILES

CC1C2=CC=CC=C2S[N+](C1=O)(C3=CC=CC=C3OCCOCCBr)C(C)C

InChI

InChI=1S/C22H27BrNO3S/c1-16(2)24(22(25)17(3)18-8-4-7-11-21(18)28-24)19-9-5-6-10-20(19)27-15-14-26-13-12-23/h4-11,16-17H,12-15H2,1-3H3/q+1