(2R,3S,5S)-5-ethyl-5-methoxycarbonyl-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (2R,3S,5S)-5-ethyl-5-methoxycarbonyl-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-3-carboxylate Openeye Name: (2R,3S,5S)-5-ethyl-5-methoxycarbonyl-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (2R,3S,5S)-5-ethyl-5-methoxycarbonyl-2-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R,3S,5S)-5-ethyl-5-methoxycarbonyl-2-(4-methoxyphenyl)-1-methylpyrrolidin-1-ium-3-carboxylate Traditional Name: (2R,3S,5S)-5-carbomethoxy-5-ethyl-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-3-carboxylate Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)OC)C(=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5/c1-5-17(16(21)23-4)10-13(15(19)20)14(18(17)2)11-6-8-12(22-3)9-7-11/h6-9,13-14H,5,10H2,1-4H3,(H,19,20)/t13-,14-,17-/m0/s1