3-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide

Systemtic Name: 3-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide Openeye Name: 3-[2-(4-methoxyphenyl)-4-methyl-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide CAS Name: 3-[2-(4-methoxyphenyl)-4-methyl-5-thiazol-3-iumyl]-4H-1,4-benzothiazine bromide IUPAC Name: 3-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide Traditional Name: 3-[2-(4-methoxyphenyl)-4-methyl-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide Formula: C19H17BrN2OS2 MolecularWeight: 433.38508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[NH+]1)C2=CC=C(C=C2)OC)C3=CSC4=CC=CC=C4N3.[Br-]

Isomeric SMILES

CC1=C(SC(=[NH+]1)C2=CC=C(C=C2)OC)C3=CSC4=CC=CC=C4N3.[Br-]

InChI

InChI=1S/C19H16N2OS2.BrH/c1-12-18(16-11-23-17-6-4-3-5-15(17)21-16)24-19(20-12)13-7-9-14(22-2)10-8-13;/h3-11,21H,1-2H3;1H