4-[[(2-methyl-1-oxidanyl-propan-2-yl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2-methyl-1-oxidanyl-propan-2-yl)azaniumyl]methyl]benzoate Openeye Name: 4-[[(2-hydroxy-1,1-dimethyl-ethyl)ammonio]methyl]benzoate CAS Name: 4-[[(1-hydroxy-2-methylpropan-2-yl)ammonio]methyl]benzoate IUPAC Name: 4-[[(1-hydroxy-2-methylpropan-2-yl)azaniumyl]methyl]benzoate Traditional Name: 4-[[(2-hydroxy-1,1-dimethyl-ethyl)ammonio]methyl]benzoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-12(2,8-14)13-7-9-3-5-10(6-4-9)11(15)16/h3-6,13-14H,7-8H2,1-2H3,(H,15,16)