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

Systemtic Name: methyl (2S,4S)-4-[4-chloranyl-2-(phenylmethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2-benzyl-4-chloro-phenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[4-chloro-2-(phenylmethyl)phenoxy]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-benzyl-4-chlorophenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-benzyl-4-chloro-phenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H21ClNO3+ MolecularWeight: 346.82794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO3/c1-23-19(22)17-11-16(12-21-17)24-18-8-7-15(20)10-14(18)9-13-5-3-2-4-6-13/h2-8,10,16-17,21H,9,11-12H2,1H3/p+1/t16-,17-/m0/s1