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

Systemtic Name: 4-[[methyl-[(1S)-1-phenylethyl]azaniumyl]methyl]benzoate Openeye Name: 4-[[methyl-[(1S)-1-phenylethyl]ammonio]methyl]benzoate CAS Name: 4-[[methyl-[(1S)-1-phenylethyl]ammonio]methyl]benzoate IUPAC Name: 4-[[methyl-[(1S)-1-phenylethyl]azaniumyl]methyl]benzoate Traditional Name: 4-[[methyl-[(1S)-1-phenylethyl]ammonio]methyl]benzoate Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO2/c1-13(15-6-4-3-5-7-15)18(2)12-14-8-10-16(11-9-14)17(19)20/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m0/s1