[(3S)-1-methylpiperidin-1-ium-3-yl] 3,4-dimethoxybenzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 3,4-dimethoxybenzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C15H22NO4+ MolecularWeight: 280.33948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H21NO4/c1-16-8-4-5-12(10-16)20-15(17)11-6-7-13(18-2)14(9-11)19-3/h6-7,9,12H,4-5,8,10H2,1-3H3/p+1/t12-/m0/s1