propan-2-yl (2S,3S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: propan-2-yl (2S,3S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: isopropyl (2S,3S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3S)-2-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S,3S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-ium-3-carboxylic acid isopropyl ester Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC[NH2+]C1C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-10(2)21-16(18)12-7-8-17-15(12)11-5-6-13(19-3)14(9-11)20-4/h5-6,9-10,12,15,17H,7-8H2,1-4H3/p+1/t12-,15+/m0/s1