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

Systemtic Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoic acid Openeye Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid CAS Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid IUPAC Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid Traditional Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid Formula: C11H12NO3S+ MolecularWeight: 238.28288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C11H11NO3S/c1-7-12(6-11(13)14)9-5-8(15-2)3-4-10(9)16-7/h3-5H,6H2,1-2H3/p+1