[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 3-methoxybenzoate

Systemtic Name: [(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 3-methoxybenzoate Openeye Name: [(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [(2S,4S,5S)-1,2,5-trimethyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl] ester Formula: C16H24NO3+ MolecularWeight: 278.36666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)OC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-11-10-17(3)12(2)8-15(11)20-16(18)13-6-5-7-14(9-13)19-4/h5-7,9,11-12,15H,8,10H2,1-4H3/p+1/t11-,12-,15-/m0/s1