4-[[methyl(propan-2-yl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[methyl(propan-2-yl)azaniumyl]methyl]benzoate Openeye Name: 4-[[isopropyl(methyl)ammonio]methyl]benzoate CAS Name: 4-[[methyl(propan-2-yl)ammonio]methyl]benzoate IUPAC Name: 4-[[methyl(propan-2-yl)azaniumyl]methyl]benzoate Traditional Name: 4-[[isopropyl(methyl)ammonio]methyl]benzoate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-9(2)13(3)8-10-4-6-11(7-5-10)12(14)15/h4-7,9H,8H2,1-3H3,(H,14,15)