6-(2-methyl-1,3-benzothiazol-3-ium-3-yl)hexanoic acid

Systemtic Name: 6-(2-methyl-1,3-benzothiazol-3-ium-3-yl)hexanoic acid Openeye Name: 6-(2-methyl-1,3-benzothiazol-3-ium-3-yl)hexanoic acid CAS Name: 6-(2-methyl-1,3-benzothiazol-3-ium-3-yl)hexanoic acid IUPAC Name: 6-(2-methyl-1,3-benzothiazol-3-ium-3-yl)hexanoic acid Traditional Name: 6-(2-methyl-1,3-benzothiazol-3-ium-3-yl)hexanoic acid Formula: C14H18NO2S+ MolecularWeight: 264.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCCCC(=O)O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCCCC(=O)O

InChI

InChI=1S/C14H17NO2S/c1-11-15(10-6-2-3-9-14(16)17)12-7-4-5-8-13(12)18-11/h4-5,7-8H,2-3,6,9-10H2,1H3/p+1