4-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]benzoate

Systemtic Name: 4-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]benzoate Openeye Name: 4-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]benzoate CAS Name: 4-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]benzoate IUPAC Name: 4-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]benzoate Traditional Name: 4-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]benzoate Formula: C16H13NO2S MolecularWeight: 283.34492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H13NO2S/c1-11-17(14-4-2-3-5-15(14)20-11)10-12-6-8-13(9-7-12)16(18)19/h2-9H,10H2,1H3