methyl (2R)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-vanillylpyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H20NO4+ MolecularWeight: 266.3129

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC2C(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@@H]2C(=O)OC)O

InChI

InChI=1S/C14H19NO4/c1-18-13-8-10(5-6-12(13)16)9-15-7-3-4-11(15)14(17)19-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3/p+1/t11-/m1/s1