1,3-benzothiazol-2-ylmethyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C14H10N2O3S MolecularWeight: 286.3058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C14H10N2O3S/c17-14(10-5-7-16(18)8-6-10)19-9-13-15-11-3-1-2-4-12(11)20-13/h1-8H,9H2