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

Systemtic Name: 5-[(2R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-1-ium-2-yl]-N-propan-2-yl-thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-1-ium-2-yl]-N-isopropyl-thiophene-2-carboxamide CAS Name: 5-[(2R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyrrolidin-1-iumyl]-N-propan-2-yl-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-1-ium-2-yl]-N-propan-2-ylthiophene-2-carboxamide Traditional Name: N-isopropyl-5-[(2R)-1-(piazthiol-5-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C19H23N4OS2+ MolecularWeight: 387.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=C(S1)C2CCC[NH+]2CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC(C)NC(=O)C1=CC=C(S1)[C@H]2CCC[NH+]2CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H22N4OS2/c1-12(2)20-19(24)18-8-7-17(25-18)16-4-3-9-23(16)11-13-5-6-14-15(10-13)22-26-21-14/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,20,24)/p+1/t16-/m1/s1