[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-nitrobenzoate

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-nitrobenzoate Openeye Name: [(3S)-quinuclidin-1-ium-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S)-quinuclidin-1-ium-3-yl] ester Formula: C14H17N2O4+ MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c17-14(11-1-3-12(4-2-11)16(18)19)20-13-9-15-7-5-10(13)6-8-15/h1-4,10,13H,5-9H2/p+1/t13-/m1/s1