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

Systemtic Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(1,2-oxazinan-2-ylcarbonyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(oxazinane-2-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-[2-oxazinanyl(oxo)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(oxazinane-2-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(oxazinane-2-carbonyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H31N2O5+ MolecularWeight: 391.48124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)OC)C(=O)N3CCCCO3)C(=O)OC

Isomeric SMILES

CC[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)OC)C(=O)N3CCCCO3)C(=O)OC

InChI

InChI=1S/C21H30N2O5/c1-5-21(20(25)27-4)14-17(19(24)23-12-6-7-13-28-23)18(22(21)2)15-8-10-16(26-3)11-9-15/h8-11,17-18H,5-7,12-14H2,1-4H3/p+1/t17-,18-,21-/m0/s1