2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethyl ethanoate

Systemtic Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethyl ethanoate Openeye Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethyl acetate CAS Name: acetic acid 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethyl ester IUPAC Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethyl acetate Traditional Name: acetic acid 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethyl ester Formula: C12H14NO2S+ MolecularWeight: 236.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCOC(=O)C

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCOC(=O)C

InChI

InChI=1S/C12H14NO2S/c1-9-13(7-8-15-10(2)14)11-5-3-4-6-12(11)16-9/h3-6H,7-8H2,1-2H3/q+1