propyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

CCCOC(=O)C[N+]1=CSC2=CC=CC=C21

InChI

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