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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC2CC([NH2+]C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[C@@H]2C[C@H]([NH2+]C2)C(=O)[O-]

InChI

InChI=1S/C16H23NO2/c1-16(2,3)13-6-4-11(5-7-13)8-12-9-14(15(18)19)17-10-12/h4-7,12,14,17H,8-10H2,1-3H3,(H,18,19)/t12-,14+/m1/s1