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

Systemtic Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(1,2-oxazol-3-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-2-ethyl-4-(isoxazol-3-ylmethylcarbamoyl)-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-2-ethyl-4-[(3-isoxazolylmethylamino)-oxomethyl]-5-(4-methoxyphenyl)-1-methyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(1,2-oxazol-3-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-2-ethyl-4-(isoxazol-3-ylmethylcarbamoyl)-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)OC)C(=O)NCC3=NOC=C3)C(=O)OC

Isomeric SMILES

CC[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)OC)C(=O)NCC3=NOC=C3)C(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-5-21(20(26)28-4)12-17(19(25)22-13-15-10-11-29-23-15)18(24(21)2)14-6-8-16(27-3)9-7-14/h6-11,17-18H,5,12-13H2,1-4H3,(H,22,25)/p+1/t17-,18-,21-/m0/s1