3-[5-[[[(2R)-4-phenylbutan-2-yl]azaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[[(2R)-4-phenylbutan-2-yl]azaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[[(1R)-1-methyl-3-phenyl-propyl]ammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[[(2R)-4-phenylbutan-2-yl]ammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[[(2R)-4-phenylbutan-2-yl]azaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[[(1R)-1-methyl-3-phenyl-propyl]ammonio]methyl]-2-furyl]benzoate Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H23NO3/c1-16(10-11-17-6-3-2-4-7-17)23-15-20-12-13-21(26-20)18-8-5-9-19(14-18)22(24)25/h2-9,12-14,16,23H,10-11,15H2,1H3,(H,24,25)/t16-/m1/s1