(2S,4R)-4-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S,4R)-4-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-4-(2-naphthylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-(2-naphthalenylmethyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-4-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(2-naphthylmethyl)pyrrolidin-1-ium-2-carboxylate Formula: C16H17NO2 MolecularWeight: 255.31168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)[O-])CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)[O-])CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H17NO2/c18-16(19)15-9-12(10-17-15)7-11-5-6-13-3-1-2-4-14(13)8-11/h1-6,8,12,15,17H,7,9-10H2,(H,18,19)/t12-,15+/m1/s1