2-[2,6-bis(azanyl)-1,3-benzothiazol-3-ium-3-yl]-1-(3-methoxyphenyl)ethanone bromide

Systemtic Name: 2-[2,6-bis(azanyl)-1,3-benzothiazol-3-ium-3-yl]-1-(3-methoxyphenyl)ethanone bromide Openeye Name: 2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)-1-(3-methoxyphenyl)ethanone bromide CAS Name: 2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)-1-(3-methoxyphenyl)ethanone bromide IUPAC Name: 2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)-1-(3-methoxyphenyl)ethanone bromide Traditional Name: 2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)-1-(3-methoxyphenyl)ethanone bromide Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=C(SC3=C2C=CC(=C3)N)N.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=C(SC3=C2C=CC(=C3)N)N.[Br-]

InChI

InChI=1S/C16H15N3O2S.BrH/c1-21-12-4-2-3-10(7-12)14(20)9-19-13-6-5-11(17)8-15(13)22-16(19)18;/h2-8,18H,9,17H2,1H3;1H