N-[2,5-dimethoxy-4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]phenyl]benzamide

Systemtic Name: N-[2,5-dimethoxy-4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]phenyl]benzamide Openeye Name: N-[2,5-dimethoxy-4-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide CAS Name: N-[2,5-dimethoxy-4-[[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-dimethoxy-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide Traditional Name: N-[2,5-dimethoxy-4-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C25H27N3O4S/c1-31-21-15-19(27-25(30)17-8-4-3-5-9-17)22(32-2)14-18(21)26-24(29)16-28-12-6-10-20(28)23-11-7-13-33-23/h3-5,7-9,11,13-15,20H,6,10,12,16H2,1-2H3,(H,26,29)(H,27,30)/p+1/t20-/m0/s1