5-[[3,5-bis(chloranyl)-2-methoxy-phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[[3,5-bis(chloranyl)-2-methoxy-phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(3,5-dichloro-2-methoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(3,5-dichloro-2-methoxyphenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(3,5-dichloro-2-methoxyphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(3,5-dichloro-2-methoxy-benzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C19H20Cl2N2O4 MolecularWeight: 411.2791

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O4/c1-26-18-12(8-13(20)9-16(18)21)11-22-14-2-3-17(15(10-14)19(24)25)23-4-6-27-7-5-23/h2-3,8-10,22H,4-7,11H2,1H3,(H,24,25)