methyl (2S,4R)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(2-methylpropanoylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(2-methylpropanoylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(2-methylpropanoylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-[(2-methyl-1-oxopropyl)amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-(2-methylpropanoylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(isobutyrylamino)-1-(4-methoxy-2,5-dimethyl-benzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H31N2O4+ MolecularWeight: 363.47114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC(CC2C(=O)OC)NC(=O)C(C)C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C(C)C)C)OC

InChI

InChI=1S/C20H30N2O4/c1-12(2)19(23)21-16-9-17(20(24)26-6)22(11-16)10-15-7-14(4)18(25-5)8-13(15)3/h7-8,12,16-17H,9-11H2,1-6H3,(H,21,23)/p+1/t16-,17+/m1/s1