methyl (2S,4S)-4-[2-(phenylmethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[2-(phenylmethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2-benzylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[2-(phenylmethyl)phenoxy]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-benzylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-benzylphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H22NO3+ MolecularWeight: 312.38288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3/c1-22-19(21)17-12-16(13-20-17)23-18-10-6-5-9-15(18)11-14-7-3-2-4-8-14/h2-10,16-17,20H,11-13H2,1H3/p+1/t16-,17-/m0/s1