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

Systemtic Name: [(2R,3S,4S)-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-pyrrolidin-1-ium-3-yl] benzoate Openeye Name: [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S)-4-hydroxy-2-p-anisyl-pyrrolidin-1-ium-3-yl] ester Formula: C19H22NO4+ MolecularWeight: 328.38228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C(C(C[NH2+]2)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H](C[NH2+]2)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO4/c1-23-15-9-7-13(8-10-15)11-16-18(17(21)12-20-16)24-19(22)14-5-3-2-4-6-14/h2-10,16-18,20-21H,11-12H2,1H3/p+1/t16-,17+,18+/m1/s1