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

Systemtic Name: ethyl (3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-(2-methoxyethyl)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC3=NSN=C3C=C2)CCOC

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=CC3=NSN=C3C=C2)CCOC

InChI

InChI=1S/C18H25N3O3S/c1-3-24-17(22)18(8-10-23-2)7-4-9-21(13-18)12-14-5-6-15-16(11-14)20-25-19-15/h5-6,11H,3-4,7-10,12-13H2,1-2H3/p+1/t18-/m1/s1