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

Systemtic Name: (3R,4S)-4-(4-bromophenyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: (3R,4S)-1-benzyl-4-(4-bromophenyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (3R,4S)-4-(4-bromophenyl)-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3R,4S)-1-benzyl-4-(4-bromophenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (3R,4S)-1-benzyl-4-(4-bromophenyl)pyrrolidin-1-ium-3-carboxylate Formula: C18H18BrNO2 MolecularWeight: 360.24502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO2/c19-15-8-6-14(7-9-15)16-11-20(12-17(16)18(21)22)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2,(H,21,22)/t16-,17+/m1/s1