5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]isophthalamide Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N)C3=CC=CS3

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N)C3=CC=CS3

InChI

InChI=1S/C18H20N4O3S/c19-17(24)11-7-12(18(20)25)9-13(8-11)21-16(23)10-22-5-1-3-14(22)15-4-2-6-26-15/h2,4,6-9,14H,1,3,5,10H2,(H2,19,24)(H2,20,25)(H,21,23)/p+1/t14-/m0/s1