[(2R,3R,4S)-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-pyrrolidin-1-ium-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S)-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-pyrrolidin-1-ium-3-yl] ethanoate Openeye Name: [(2R,3R,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(2R,3R,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S)-4-hydroxy-2-p-anisyl-pyrrolidin-1-ium-3-yl] ester Formula: C14H20NO4+ MolecularWeight: 266.3129

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C[NH2+]C1CC2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(=O)O[C@H]1[C@H](C[NH2+][C@@H]1CC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/p+1/t12-,13+,14-/m1/s1