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

Systemtic Name: (2S)-2-[(4-tert-butylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-2-[(4-tert-butylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-2-[(4-tert-butylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-2-(4-tert-butylbenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C16H23NO2 MolecularWeight: 261.35932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC2(CCC[NH2+]2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[C@@]2(CCC[NH2+]2)C(=O)[O-]

InChI

InChI=1S/C16H23NO2/c1-15(2,3)13-7-5-12(6-8-13)11-16(14(18)19)9-4-10-17-16/h5-8,17H,4,9-11H2,1-3H3,(H,18,19)/t16-/m0/s1