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

Systemtic Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-chloranylbenzoate Openeye Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C15H19ClNO2+ MolecularWeight: 280.76986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO2/c1-17-12-6-7-13(17)9-14(8-12)19-15(18)10-2-4-11(16)5-3-10/h2-5,12-14H,6-9H2,1H3/p+1/t12-,13+,14?