4-oxidanyl-3-[(1R)-1-phenyl-3-(propan-2-ylazaniumyl)propyl]benzoate

Systemtic Name: 4-oxidanyl-3-[(1R)-1-phenyl-3-(propan-2-ylazaniumyl)propyl]benzoate Openeye Name: 4-hydroxy-3-[(1R)-3-(isopropylammonio)-1-phenyl-propyl]benzoate CAS Name: 4-hydroxy-3-[(1R)-1-phenyl-3-(propan-2-ylammonio)propyl]benzoate IUPAC Name: 4-hydroxy-3-[(1R)-1-phenyl-3-(propan-2-ylazaniumyl)propyl]benzoate Traditional Name: 4-hydroxy-3-[(1R)-3-(isopropylammonio)-1-phenyl-propyl]benzoate Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3/c1-13(2)20-11-10-16(14-6-4-3-5-7-14)17-12-15(19(22)23)8-9-18(17)21/h3-9,12-13,16,20-21H,10-11H2,1-2H3,(H,22,23)/t16-/m1/s1