(2S)-2-[(4-phenylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-2-[(4-phenylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-2-[(4-phenylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-[(4-phenylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-2-[(4-phenylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-2-(4-phenylbenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@]([NH2+]C1)(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H19NO2/c20-17(21)18(11-4-12-19-18)13-14-7-9-16(10-8-14)15-5-2-1-3-6-15/h1-3,5-10,19H,4,11-13H2,(H,20,21)/t18-/m0/s1