[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 4-ethoxybenzoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 4-ethoxybenzoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C17H26NO3+ MolecularWeight: 292.39324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC(C)C[NH+]2CCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)O[C@H](C)C[NH+]2CCCCC2

InChI

InChI=1S/C17H25NO3/c1-3-20-16-9-7-15(8-10-16)17(19)21-14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3/p+1/t14-/m1/s1