5-bromanyl-N-[2-oxidanylidene-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-oxidanylidene-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-oxo-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-oxo-2-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-oxo-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]ethyl]-2-furamide Formula: C17H21BrN3O3S+ MolecularWeight: 427.33594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CNC(=O)C2=CC=C(O2)Br)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CNC(=O)C2=CC=C(O2)Br)C3=CC=CS3

InChI

InChI=1S/C17H20BrN3O3S/c18-15-6-5-13(24-15)17(23)20-11-16(22)19-10-12(14-4-3-9-25-14)21-7-1-2-8-21/h3-6,9,12H,1-2,7-8,10-11H2,(H,19,22)(H,20,23)/p+1/t12-/m0/s1