2-[3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Formula: C16H20N3O2S2+ MolecularWeight: 350.4789

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)NC2=C(C=CS2)C(=O)N)C3=CC=CS3

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)NC2=C(C=CS2)C(=O)N)C3=CC=CS3

InChI

InChI=1S/C16H19N3O2S2/c17-15(21)11-6-10-23-16(11)18-14(20)5-8-19-7-1-3-12(19)13-4-2-9-22-13/h2,4,6,9-10,12H,1,3,5,7-8H2,(H2,17,21)(H,18,20)/p+1/t12-/m0/s1