5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentanoic acid bromide

Systemtic Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentanoic acid bromide Openeye Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentanoic acid bromide CAS Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentanoic acid bromide IUPAC Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentanoic acid bromide Traditional Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)valeric acid bromide Formula: C13H16BrNO2S MolecularWeight: 330.24064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCCC(=O)O.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCCC(=O)O.[Br-]

InChI

InChI=1S/C13H15NO2S.BrH/c1-10-14(9-5-4-8-13(15)16)11-6-2-3-7-12(11)17-10;/h2-3,6-7H,4-5,8-9H2,1H3;1H