4-benzamido-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-benzamido-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-benzamido-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-benzamido-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-benzamido-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-benzamido-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H25N3O2S/c28-23(25-17-21(22-9-6-16-30-22)27-14-4-5-15-27)19-10-12-20(13-11-19)26-24(29)18-7-2-1-3-8-18/h1-3,6-13,16,21H,4-5,14-15,17H2,(H,25,28)(H,26,29)/p+1/t21-/m0/s1