methyl (2R,4S)-4-oxidanyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R,4S)-4-oxidanyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2R,4S)-4-hydroxy-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R,4S)-4-hydroxy-1-[(2,4,5-trimethoxyphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-hydroxy-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R,4S)-4-hydroxy-1-(2,4,5-trimethoxybenzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H24NO6+ MolecularWeight: 326.36486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CC(CC2C(=O)OC)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2C[C@H](C[C@@H]2C(=O)OC)O)OC)OC

InChI

InChI=1S/C16H23NO6/c1-20-13-7-15(22-3)14(21-2)5-10(13)8-17-9-11(18)6-12(17)16(19)23-4/h5,7,11-12,18H,6,8-9H2,1-4H3/p+1/t11-,12+/m0/s1