5-[(5-chloranyl-2-ethoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[(5-chloranyl-2-ethoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(5-chloro-2-ethoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(5-chloro-2-ethoxyphenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(5-chloro-2-ethoxyphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(5-chloro-2-ethoxy-benzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C20H23ClN2O4/c1-2-27-19-6-3-15(21)11-14(19)13-22-16-4-5-18(17(12-16)20(24)25)23-7-9-26-10-8-23/h3-6,11-12,22H,2,7-10,13H2,1H3,(H,24,25)