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

Systemtic Name: 5-bromanyl-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-keto-ethyl]-2-furamide Formula: C17H21BrN3O4+ MolecularWeight: 411.27034

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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=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CNC(=O)C2=CC=C(O2)Br)C3=CC=CO3

InChI

InChI=1S/C17H20BrN3O4/c18-15-6-5-14(25-15)17(23)20-11-16(22)19-10-12(13-4-3-9-24-13)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