(3R,4S)-4-phenyl-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (3R,4S)-4-phenyl-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: (3R,4S)-1-benzyl-4-phenyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (3R,4S)-4-phenyl-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3R,4S)-1-benzyl-4-phenylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3R,4S)-1-benzyl-4-phenyl-pyrrolidin-1-ium-3-carboxylate Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C[NH+]1CC2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1[C@@H]([C@H](C[NH+]1CC2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H19NO2/c20-18(21)17-13-19(11-14-7-3-1-4-8-14)12-16(17)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17+/m1/s1