methyl (2S,4S,5R)-4-(cyclobutylcarbamoyl)-1-methyl-2-(2-methylpropyl)-5-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-4-(cyclobutylcarbamoyl)-1-methyl-2-(2-methylpropyl)-5-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-(cyclobutylcarbamoyl)-2-isobutyl-1-methyl-5-(3-pyridyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-4-[(cyclobutylamino)-oxomethyl]-1-methyl-2-(2-methylpropyl)-5-(3-pyridinyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-4-(cyclobutylcarbamoyl)-1-methyl-2-(2-methylpropyl)-5-pyridin-3-ylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-4-(cyclobutylcarbamoyl)-2-isobutyl-1-methyl-5-(3-pyridyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C([NH+]1C)C2=CN=CC=C2)C(=O)NC3CCC3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-14(2)11-21(20(26)27-4)12-17(19(25)23-16-8-5-9-16)18(24(21)3)15-7-6-10-22-13-15/h6-7,10,13-14,16-18H,5,8-9,11-12H2,1-4H3,(H,23,25)/p+1/t17-,18-,21-/m0/s1