methyl (2S,4S)-1-(naphthalen-1-ylmethyl)-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-(naphthalen-1-ylmethyl)-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-(1-naphthylmethyl)-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-(1-naphthalenylmethyl)-4-(1-oxopropylamino)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-(naphthalen-1-ylmethyl)-4-(propanoylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(1-naphthylmethyl)-4-propionamido-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC([NH+](C1)CC2=CC=CC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCC(=O)N[C@H]1C[C@H]([NH+](C1)CC2=CC=CC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H24N2O3/c1-3-19(23)21-16-11-18(20(24)25-2)22(13-16)12-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16,18H,3,11-13H2,1-2H3,(H,21,23)/p+1/t16-,18-/m0/s1