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

Systemtic Name: 4-[[[(2R)-4-phenylbutan-2-yl]azaniumyl]methyl]benzoate Openeye Name: 4-[[[(1R)-1-methyl-3-phenyl-propyl]ammonio]methyl]benzoate CAS Name: 4-[[[(2R)-4-phenylbutan-2-yl]ammonio]methyl]benzoate IUPAC Name: 4-[[[(2R)-4-phenylbutan-2-yl]azaniumyl]methyl]benzoate Traditional Name: 4-[[[(1R)-1-methyl-3-phenyl-propyl]ammonio]methyl]benzoate Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H21NO2/c1-14(7-8-15-5-3-2-4-6-15)19-13-16-9-11-17(12-10-16)18(20)21/h2-6,9-12,14,19H,7-8,13H2,1H3,(H,20,21)/t14-/m1/s1