butyl 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate bromide

Systemtic Name: butyl 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate bromide Openeye Name: butyl 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate bromide CAS Name: 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid butyl ester bromide IUPAC Name: butyl 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate bromide Traditional Name: 2-[(3-propyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid butyl ester bromide Formula: C16H22BrNO2S2 MolecularWeight: 404.38538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=[N+](C2=CC=CC=C2S1)CCC.[Br-]

Isomeric SMILES

CCCCOC(=O)CSC1=[N+](C2=CC=CC=C2S1)CCC.[Br-]

InChI

InChI=1S/C16H22NO2S2.BrH/c1-3-5-11-19-15(18)12-20-16-17(10-4-2)13-8-6-7-9-14(13)21-16;/h6-9H,3-5,10-12H2,1-2H3;1H/q+1;/p-1