4-[(2-methylpropylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(2-methylpropylazaniumyl)methyl]benzoate Openeye Name: 4-[(isobutylammonio)methyl]benzoate CAS Name: 4-[(2-methylpropylammonio)methyl]benzoate IUPAC Name: 4-[(2-methylpropylazaniumyl)methyl]benzoate Traditional Name: 4-[(isobutylammonio)methyl]benzoate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H17NO2/c1-9(2)7-13-8-10-3-5-11(6-4-10)12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)