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

Systemtic Name: 2-[(4-tert-butylphenyl)methyl-prop-2-enyl-azaniumyl]ethanoate Openeye Name: 2-[allyl-[(4-tert-butylphenyl)methyl]ammonio]acetate CAS Name: 2-[(4-tert-butylphenyl)methyl-prop-2-enylammonio]acetate IUPAC Name: 2-[(4-tert-butylphenyl)methyl-prop-2-enylazaniumyl]acetate Traditional Name: 2-[allyl-(4-tert-butylbenzyl)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=C)CC(=O)[O-]

Isomeric SMILES

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

InChI

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