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

Systemtic Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentanoic acid Openeye Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentanoic acid CAS Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentanoic acid IUPAC Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentanoic acid Traditional Name: 5-(2-methyl-1,3-benzothiazol-3-ium-3-yl)valeric acid Formula: C13H16NO2S+ MolecularWeight: 250.33664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2S/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/p+1