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

Systemtic Name: 2-iodanyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 2-iodo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 2-iodo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 2-iodo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 2-iodo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C17H20IN2OS+ MolecularWeight: 427.32297

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=CC=C2I)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=CC=C2I)C3=CC=CS3

InChI

InChI=1S/C17H19IN2OS/c18-14-7-2-1-6-13(14)17(21)19-12-15(16-8-5-11-22-16)20-9-3-4-10-20/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,19,21)/p+1/t15-/m0/s1