4-acetamidobenzoate; dimethyl(1-oxidanylpropan-2-yl)azanium

Systemtic Name: 4-acetamidobenzoate; dimethyl(1-oxidanylpropan-2-yl)azanium Openeye Name: 4-acetamidobenzoate; (2-hydroxy-1-methyl-ethyl)-dimethyl-ammonium CAS Name: 4-acetamidobenzoate; 1-hydroxypropan-2-yl(dimethyl)ammonium IUPAC Name: 4-acetamidobenzoate; 1-hydroxypropan-2-yl(dimethyl)azanium Traditional Name: 4-acetamidobenzoate; (2-hydroxy-1-methyl-ethyl)-dimethyl-ammonium Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)[NH+](C)C.CC(=O)NC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(CO)[NH+](C)C.CC(=O)NC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C9H9NO3.C5H13NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(4-7)6(2)3/h2-5H,1H3,(H,10,11)(H,12,13);5,7H,4H2,1-3H3