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

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-p-phenetyl-2-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C25H27N3O3S/c1-2-31-19-13-11-18(12-14-19)26-25(30)20-7-3-4-8-21(20)27-24(29)17-28-15-5-9-22(28)23-10-6-16-32-23/h3-4,6-8,10-14,16,22H,2,5,9,15,17H2,1H3,(H,26,30)(H,27,29)/p+1/t22-/m0/s1