4-[[[(2R)-1-oxidanylbutan-2-yl]azaniumyl]methyl]benzoate

Systemtic Name: 4-[[[(2R)-1-oxidanylbutan-2-yl]azaniumyl]methyl]benzoate Openeye Name: 4-[[[(1R)-1-(hydroxymethyl)propyl]ammonio]methyl]benzoate CAS Name: 4-[[[(2R)-1-hydroxybutan-2-yl]ammonio]methyl]benzoate IUPAC Name: 4-[[[(2R)-1-hydroxybutan-2-yl]azaniumyl]methyl]benzoate Traditional Name: 4-[[[(1R)-1-methylolpropyl]ammonio]methyl]benzoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-2-11(8-14)13-7-9-3-5-10(6-4-9)12(15)16/h3-6,11,13-14H,2,7-8H2,1H3,(H,15,16)/t11-/m1/s1