5-[(2R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-1-ium-2-yl]-N-(2-hydroxyethyl)thiophene-2-carboxamide

Systemtic Name: 5-[(2R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-1-ium-2-yl]-N-(2-hydroxyethyl)thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-1-ium-2-yl]-N-(2-hydroxyethyl)thiophene-2-carboxamide CAS Name: 5-[(2R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyrrolidin-1-iumyl]-N-(2-hydroxyethyl)-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-1-ium-2-yl]-N-(2-hydroxyethyl)thiophene-2-carboxamide Traditional Name: N-(2-hydroxyethyl)-5-[(2R)-1-(piazthiol-5-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C18H21N4O2S2+ MolecularWeight: 389.51494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC3=NSN=C3C=C2)C4=CC=C(S4)C(=O)NCCO

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC3=NSN=C3C=C2)C4=CC=C(S4)C(=O)NCCO

InChI

InChI=1S/C18H20N4O2S2/c23-9-7-19-18(24)17-6-5-16(25-17)15-2-1-8-22(15)11-12-3-4-13-14(10-12)21-26-20-13/h3-6,10,15,23H,1-2,7-9,11H2,(H,19,24)/p+1/t15-/m1/s1