2-[(4-tert-butylphenyl)methyl-cyclopropyl-azaniumyl]ethanoate

Systemtic Name: 2-[(4-tert-butylphenyl)methyl-cyclopropyl-azaniumyl]ethanoate Openeye Name: 2-[(4-tert-butylphenyl)methyl-cyclopropyl-ammonio]acetate CAS Name: 2-[(4-tert-butylphenyl)methyl-cyclopropylammonio]acetate IUPAC Name: 2-[(4-tert-butylphenyl)methyl-cyclopropylazaniumyl]acetate Traditional Name: 2-[(4-tert-butylbenzyl)-cyclopropyl-ammonio]acetate Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](CC(=O)[O-])C2CC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](CC(=O)[O-])C2CC2

InChI

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