heptyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate bromide

Systemtic Name: heptyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate bromide Openeye Name: heptyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid heptyl ester bromide IUPAC Name: heptyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid heptyl ester bromide Formula: C16H22BrNO2S MolecularWeight: 372.32038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

Isomeric SMILES

CCCCCCCOC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C16H22NO2S.BrH/c1-2-3-4-5-8-11-19-16(18)12-17-13-20-15-10-7-6-9-14(15)17;/h6-7,9-10,13H,2-5,8,11-12H2,1H3;1H/q+1;/p-1