N-(1,3-benzodioxol-5-yl)-2-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C24H24N3O4S+ MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C24H23N3O4S/c28-23(14-27-11-3-7-19(27)22-8-4-12-32-22)26-18-6-2-1-5-17(18)24(29)25-16-9-10-20-21(13-16)31-15-30-20/h1-2,4-6,8-10,12-13,19H,3,7,11,14-15H2,(H,25,29)(H,26,28)/p+1/t19-/m0/s1