ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)pyridin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)pyridin-1-ium-4-carboxylate bromide Openeye Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)pyridin-1-ium-4-carboxylate bromide CAS Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)pyridin-1-ium-4-carboxylate bromide Traditional Name: 1-(piazthiol-5-ylmethyl)pyridin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C15H14BrN3O2S MolecularWeight: 380.25956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)CC2=CC3=NSN=C3C=C2.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)CC2=CC3=NSN=C3C=C2.[Br-]

InChI

InChI=1S/C15H14N3O2S.BrH/c1-2-20-15(19)12-5-7-18(8-6-12)10-11-3-4-13-14(9-11)17-21-16-13;/h3-9H,2,10H2,1H3;1H/q+1;/p-1