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

Systemtic Name: 2-[2,6-bis(azanyl)-1,3-benzothiazol-3-ium-3-yl]-1-(3-methoxyphenyl)ethanone Openeye Name: 2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)-1-(3-methoxyphenyl)ethanone CAS Name: 2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)-1-(3-methoxyphenyl)ethanone Traditional Name: 2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)-1-(3-methoxyphenyl)ethanone Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/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/p+1