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

Systemtic Name: 2-[2-methylpropyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[isobutyl-[(4-isopropylphenyl)methyl]ammonio]acetate CAS Name: 2-[2-methylpropyl-[(4-propan-2-ylphenyl)methyl]ammonio]acetate IUPAC Name: 2-[2-methylpropyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[isobutyl-(4-isopropylbenzyl)ammonio]acetate Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-12(2)9-17(11-16(18)19)10-14-5-7-15(8-6-14)13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,19)