5-nitro-N-[(1R,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[(1R,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-5-nitro-furan-2-carboxamide CAS Name: 5-nitro-N-[(1R,2S)-1-(1-pyrrolidin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]-2-furancarboxamide IUPAC Name: 5-nitro-N-[(1R,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-5-nitro-2-furamide Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]([C@H](C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-11(17-16(20)12-6-7-14(23-12)19(21)22)15(13-5-4-10-24-13)18-8-2-3-9-18/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,17,20)/p+1/t11-,15+/m0/s1