3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide

Systemtic Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide Openeye Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide CAS Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-N-(2-methoxyethyl)propanamide IUPAC Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide Traditional Name: N-(2-methoxyethyl)-3-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CCC1CC[NH+](CC1)CC2=CC3=NSN=C3C=C2

Isomeric SMILES

COCCNC(=O)CCC1CC[NH+](CC1)CC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C18H26N4O2S/c1-24-11-8-19-18(23)5-3-14-6-9-22(10-7-14)13-15-2-4-16-17(12-15)21-25-20-16/h2,4,12,14H,3,5-11,13H2,1H3,(H,19,23)/p+1