[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-nitrobenzoate

Systemtic Name: [(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-nitrobenzoate Openeye Name: [(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C15H19N2O4+ MolecularWeight: 291.32236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O4/c1-16-12-6-7-13(16)9-14(8-12)21-15(18)10-2-4-11(5-3-10)17(19)20/h2-5,12-14H,6-9H2,1H3/p+1/t12-,13+,14?