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

Systemtic Name: methyl (2S,4S)-4-[4-(phenylmethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4-benzylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[4-(phenylmethyl)phenoxy]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4-benzylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(4-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=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3/c1-22-19(21)18-12-17(13-20-18)23-16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,17-18,20H,11-13H2,1H3/p+1/t17-,18-/m0/s1