4-[3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanoylamino]benzamide

Systemtic Name: 4-[3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanoylamino]benzamide Openeye Name: 4-[3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-3-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propyl]amino]benzamide IUPAC Name: 4-[3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanoylamino]benzamide Traditional Name: 4-[3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanoylamino]benzamide Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c19-18(23)13-5-7-14(8-6-13)20-17(22)9-11-21-10-1-3-15(21)16-4-2-12-24-16/h2,4-8,12,15H,1,3,9-11H2,(H2,19,23)(H,20,22)/p+1/t15-/m0/s1