[(3R,4S)-4-(2-methoxyethoxymethoxy)-1-oxidanidyl-3,4-dihydro-2H-pyrrol-1-ium-3-yl] benzoate

Systemtic Name: [(3R,4S)-4-(2-methoxyethoxymethoxy)-1-oxidanidyl-3,4-dihydro-2H-pyrrol-1-ium-3-yl] benzoate Openeye Name: [(3R,4S)-4-(2-methoxyethoxymethoxy)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl] benzoate CAS Name: benzoic acid [(3R,4S)-4-(2-methoxyethoxymethoxy)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl] ester IUPAC Name: [(3R,4S)-4-(2-methoxyethoxymethoxy)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl] benzoate Traditional Name: benzoic acid [(3R,4S)-4-(2-methoxyethoxymethoxy)-1-oxido-1-pyrrolin-1-ium-3-yl] ester Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1C=[N+](CC1OC(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

COCCOCO[C@H]1C=[N+](C[C@H]1OC(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H19NO6/c1-19-7-8-20-11-21-13-9-16(18)10-14(13)22-15(17)12-5-3-2-4-6-12/h2-6,9,13-14H,7-8,10-11H2,1H3/t13-,14+/m0/s1