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

Systemtic Name: methyl (2S,4S,5R)-4-(cyclobutylcarbamoyl)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-(cyclobutylcarbamoyl)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-4-[(cyclobutylamino)-oxomethyl]-2-ethyl-5-(4-methoxyphenyl)-1-methyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-4-(cyclobutylcarbamoyl)-2-ethyl-5-(4-methoxyphenyl)-1-methylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-4-(cyclobutylcarbamoyl)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)OC)C(=O)NC3CCC3)C(=O)OC

Isomeric SMILES

CC[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)OC)C(=O)NC3CCC3)C(=O)OC

InChI

InChI=1S/C21H30N2O4/c1-5-21(20(25)27-4)13-17(19(24)22-15-7-6-8-15)18(23(21)2)14-9-11-16(26-3)12-10-14/h9-12,15,17-18H,5-8,13H2,1-4H3,(H,22,24)/p+1/t17-,18-,21-/m0/s1