(2R)-1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C17H24N5OS2+ MolecularWeight: 378.53536

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

Isomeric SMILES

CN(C)C(=O)[C@H]1CCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

InChI

InChI=1S/C17H23N5OS2/c1-19(2)16(23)13-5-3-9-20(13)11-21-17(24)22(12-7-8-12)15(18-21)14-6-4-10-25-14/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3/p+1/t13-/m1/s1