[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3,4-dimethoxybenzoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H25NO4/c1-13(12-18-9-5-4-6-10-18)22-17(19)14-7-8-15(20-2)16(11-14)21-3/h7-8,11,13H,4-6,9-10,12H2,1-3H3/p+1/t13-/m1/s1