4-[[[(2R)-2-oxidanyl-2-phenyl-ethyl]azaniumyl]methyl]benzoate

Systemtic Name: 4-[[[(2R)-2-oxidanyl-2-phenyl-ethyl]azaniumyl]methyl]benzoate Openeye Name: 4-[[[(2R)-2-hydroxy-2-phenyl-ethyl]ammonio]methyl]benzoate CAS Name: 4-[[[(2R)-2-hydroxy-2-phenylethyl]ammonio]methyl]benzoate IUPAC Name: 4-[[[(2R)-2-hydroxy-2-phenylethyl]azaniumyl]methyl]benzoate Traditional Name: 4-[[[(2R)-2-hydroxy-2-phenyl-ethyl]ammonio]methyl]benzoate Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])O

InChI

InChI=1S/C16H17NO3/c18-15(13-4-2-1-3-5-13)11-17-10-12-6-8-14(9-7-12)16(19)20/h1-9,15,17-18H,10-11H2,(H,19,20)/t15-/m0/s1