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

Systemtic Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC3=NSN=C3C=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C15H19N3O2S/c1-2-20-15(19)12-5-7-18(8-6-12)10-11-3-4-13-14(9-11)17-21-16-13/h3-4,9,12H,2,5-8,10H2,1H3/p+1