3-ethyl-4,7-dimethoxy-2-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-4,7-dimethoxy-2-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-4,7-dimethoxy-2-methyl-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-4,7-dimethoxy-2-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-4,7-dimethoxy-2-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-4,7-dimethoxy-2-methyl-1,3-benzothiazol-3-ium Formula: C12H16NO2S+ MolecularWeight: 238.32594

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C(C=CC(=C21)OC)OC)C

Isomeric SMILES

CC[N+]1=C(SC2=C(C=CC(=C21)OC)OC)C

InChI

InChI=1S/C12H16NO2S/c1-5-13-8(2)16-12-10(15-4)7-6-9(14-3)11(12)13/h6-7H,5H2,1-4H3/q+1