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

Systemtic Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-methoxyethyl)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=NSN=C3C=C2)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=NSN=C3C=C2)CCOC

InChI

InChI=1S/C18H25N3O3S/c1-3-24-17(22)18(8-11-23-2)6-9-21(10-7-18)13-14-4-5-15-16(12-14)20-25-19-15/h4-5,12H,3,6-11,13H2,1-2H3/p+1