2-[4-[[bis(2-methylpropyl)azaniumyl]methyl]phenyl]ethanoate

Systemtic Name: 2-[4-[[bis(2-methylpropyl)azaniumyl]methyl]phenyl]ethanoate Openeye Name: 2-[4-[(diisobutylammonio)methyl]phenyl]acetate CAS Name: 2-[4-[[bis(2-methylpropyl)ammonio]methyl]phenyl]acetate IUPAC Name: 2-[4-[[bis(2-methylpropyl)azaniumyl]methyl]phenyl]acetate Traditional Name: 2-[4-[(diisobutylammonio)methyl]phenyl]acetate Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-13(2)10-18(11-14(3)4)12-16-7-5-15(6-8-16)9-17(19)20/h5-8,13-14H,9-12H2,1-4H3,(H,19,20)