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

Systemtic Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(2R)-1-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] ester Formula: C17H26NO5+ MolecularWeight: 324.39204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

C[C@H](C[NH+]1CCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C17H25NO5/c1-12(11-18-7-5-6-8-18)23-17(19)13-9-14(20-2)16(22-4)15(10-13)21-3/h9-10,12H,5-8,11H2,1-4H3/p+1/t12-/m1/s1