methyl (2S,4S)-4-(2-phenylphenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(2-phenylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2-phenylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2-phenylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-phenylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-phenylphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H20NO3+ MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C18H19NO3/c1-21-18(20)16-11-14(12-19-16)22-17-10-6-5-9-15(17)13-7-3-2-4-8-13/h2-10,14,16,19H,11-12H2,1H3/p+1/t14-,16-/m0/s1