3-[[bis(2-methylpropyl)azaniumyl]methyl]benzoate

Systemtic Name: 3-[[bis(2-methylpropyl)azaniumyl]methyl]benzoate Openeye Name: 3-[(diisobutylammonio)methyl]benzoate CAS Name: 3-[[bis(2-methylpropyl)ammonio]methyl]benzoate IUPAC Name: 3-[[bis(2-methylpropyl)azaniumyl]methyl]benzoate Traditional Name: 3-[(diisobutylammonio)methyl]benzoate Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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