3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-morpholino-propan-1-one CAS Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 1-morpholino-3-[(3R)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NSN=C3C=C2)CCC(=O)N4CCOCC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=NSN=C3C=C2)CCC(=O)N4CCOCC4

InChI

InChI=1S/C19H26N4O2S/c24-19(23-8-10-25-11-9-23)6-4-15-2-1-7-22(13-15)14-16-3-5-17-18(12-16)21-26-20-17/h3,5,12,15H,1-2,4,6-11,13-14H2/p+1/t15-/m1/s1