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

Systemtic Name: methyl (2S,4S)-4-(4-phenylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4-phenylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(4-phenylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4-phenylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(4-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=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3/c1-21-18(20)17-11-16(12-19-17)22-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3/p+1/t16-,17-/m0/s1