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

Systemtic Name: pentyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: pentyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid pentyl ester IUPAC Name: pentyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid amyl ester Formula: C14H18NO2S+ MolecularWeight: 264.36322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO2S/c1-2-3-6-9-17-14(16)10-15-11-18-13-8-5-4-7-12(13)15/h4-5,7-8,11H,2-3,6,9-10H2,1H3/q+1