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

Systemtic Name: 5-bromanyl-N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]-2-furamide Formula: C20H25BrN3O4+ MolecularWeight: 451.3342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CNC(=O)C2=CC=C(O2)Br)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)CNC(=O)C2=CC=C(O2)Br)[NH+]3CCCC3

InChI

InChI=1S/C20H24BrN3O4/c1-27-16-7-3-2-6-14(16)15(24-10-4-5-11-24)12-22-19(25)13-23-20(26)17-8-9-18(21)28-17/h2-3,6-9,15H,4-5,10-13H2,1H3,(H,22,25)(H,23,26)/p+1/t15-/m0/s1