N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-(4-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-(4-nitrophenyl)furan-2-carboxamide Openeye Name: 5-(4-nitrophenyl)-N-[(3S)-quinuclidin-1-ium-3-yl]furan-2-carboxamide CAS Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-(4-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-(4-nitrophenyl)furan-2-carboxamide Traditional Name: 5-(4-nitrophenyl)-N-[(3S)-quinuclidin-1-ium-3-yl]-2-furamide Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4/c22-18(19-15-11-20-9-7-12(15)8-10-20)17-6-5-16(25-17)13-1-3-14(4-2-13)21(23)24/h1-6,12,15H,7-11H2,(H,19,22)/p+1/t15-/m1/s1