4-[[[(1R)-1-phenylethyl]azaniumyl]methyl]benzoate

Systemtic Name: 4-[[[(1R)-1-phenylethyl]azaniumyl]methyl]benzoate Openeye Name: 4-[[[(1R)-1-phenylethyl]ammonio]methyl]benzoate CAS Name: 4-[[[(1R)-1-phenylethyl]ammonio]methyl]benzoate IUPAC Name: 4-[[[(1R)-1-phenylethyl]azaniumyl]methyl]benzoate Traditional Name: 4-[[[(1R)-1-phenylethyl]ammonio]methyl]benzoate Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(10-8-13)16(18)19/h2-10,12,17H,11H2,1H3,(H,18,19)/t12-/m1/s1