[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C18H28NO5+ MolecularWeight: 338.41862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5/c1-13(12-19-8-6-5-7-9-19)24-18(20)14-10-15(21-2)17(23-4)16(11-14)22-3/h10-11,13H,5-9,12H2,1-4H3/p+1/t13-/m1/s1