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

Systemtic Name: 2-[2-(4-bromanylbutoxy)phenyl]-4-methyl-2-(phenylmethyl)-4H-1,2-benzothiazin-2-ium-3-one Openeye Name: 2-benzyl-2-[2-(4-bromobutoxy)phenyl]-4-methyl-4H-1,2-benzothiazin-2-ium-3-one CAS Name: 2-[2-(4-bromobutoxy)phenyl]-4-methyl-2-(phenylmethyl)-4H-1,2-benzothiazin-2-ium-3-one IUPAC Name: 2-benzyl-2-[2-(4-bromobutoxy)phenyl]-4-methyl-4H-1,2-benzothiazin-2-ium-3-one Traditional Name: 2-benzyl-2-[2-(4-bromobutoxy)phenyl]-4-methyl-4H-1,2-benzothiazin-2-ium-3-one Formula: C26H27BrNO2S+ MolecularWeight: 497.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2S[N+](C1=O)(CC3=CC=CC=C3)C4=CC=CC=C4OCCCCBr

Isomeric SMILES

CC1C2=CC=CC=C2S[N+](C1=O)(CC3=CC=CC=C3)C4=CC=CC=C4OCCCCBr

InChI

InChI=1S/C26H27BrNO2S/c1-20-22-13-5-8-16-25(22)31-28(26(20)29,19-21-11-3-2-4-12-21)23-14-6-7-15-24(23)30-18-10-9-17-27/h2-8,11-16,20H,9-10,17-19H2,1H3/q+1