4-[(2R)-3-[(3-chlorophenyl)methylazaniumyl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: 4-[(2R)-3-[(3-chlorophenyl)methylazaniumyl]-2-oxidanyl-propoxy]benzoate Openeye Name: 4-[(2R)-3-[(3-chlorophenyl)methylammonio]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-[(3-chlorophenyl)methylammonio]-2-hydroxypropoxy]benzoate IUPAC Name: 4-[(2R)-3-[(3-chlorophenyl)methylazaniumyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-[(3-chlorobenzyl)ammonio]-2-hydroxy-propoxy]benzoate Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C[NH2+]CC(COC2=CC=C(C=C2)C(=O)[O-])O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C[NH2+]C[C@H](COC2=CC=C(C=C2)C(=O)[O-])O

InChI

InChI=1S/C17H18ClNO4/c18-14-3-1-2-12(8-14)9-19-10-15(20)11-23-16-6-4-13(5-7-16)17(21)22/h1-8,15,19-20H,9-11H2,(H,21,22)/t15-/m1/s1