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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)[O-])CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO2/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,14,17,19H,10-12H2,(H,20,21)/t14-,17+/m1/s1