2-[(4-propan-2-ylphenyl)methyl-propyl-azaniumyl]ethanoate

Systemtic Name: 2-[(4-propan-2-ylphenyl)methyl-propyl-azaniumyl]ethanoate Openeye Name: 2-[(4-isopropylphenyl)methyl-propyl-ammonio]acetate CAS Name: 2-[(4-propan-2-ylphenyl)methyl-propylammonio]acetate IUPAC Name: 2-[(4-propan-2-ylphenyl)methyl-propylazaniumyl]acetate Traditional Name: 2-[(4-isopropylbenzyl)-propyl-ammonio]acetate Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=C(C=C1)C(C)C)CC(=O)[O-]

Isomeric SMILES

CCC[NH+](CC1=CC=C(C=C1)C(C)C)CC(=O)[O-]

InChI

InChI=1S/C15H23NO2/c1-4-9-16(11-15(17)18)10-13-5-7-14(8-6-13)12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)