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

Systemtic Name: (2S)-1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C16H24N5OS2+ MolecularWeight: 366.52466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC2C(=O)N(C)C)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@H]2C(=O)N(C)C)C3=CC=CS3

InChI

InChI=1S/C16H23N5OS2/c1-4-20-14(13-8-6-10-24-13)17-21(16(20)23)11-19-9-5-7-12(19)15(22)18(2)3/h6,8,10,12H,4-5,7,9,11H2,1-3H3/p+1/t12-/m0/s1