N-(4-methoxyphenyl)-4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C24H25N3O3S/c1-30-20-12-10-19(11-13-20)26-24(29)17-6-8-18(9-7-17)25-23(28)16-27-14-2-4-21(27)22-5-3-15-31-22/h3,5-13,15,21H,2,4,14,16H2,1H3,(H,25,28)(H,26,29)/p+1/t21-/m0/s1