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

Systemtic Name: methyl (2S,4S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-(1-oxopropylamino)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(4-methoxy-2,5-dimethyl-benzyl)-4-propionamido-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC([NH+](C1)CC2=CC(=C(C=C2C)OC)C)C(=O)OC

Isomeric SMILES

CCC(=O)N[C@H]1C[C@H]([NH+](C1)CC2=CC(=C(C=C2C)OC)C)C(=O)OC

InChI

InChI=1S/C19H28N2O4/c1-6-18(22)20-15-9-16(19(23)25-5)21(11-15)10-14-7-13(3)17(24-4)8-12(14)2/h7-8,15-16H,6,9-11H2,1-5H3,(H,20,22)/p+1/t15-,16-/m0/s1