5-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(5-bromo-2-methoxy-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(5-bromo-2-methoxy-benzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C19H21BrN2O4 MolecularWeight: 421.28504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C19H21BrN2O4/c1-25-18-5-2-14(20)10-13(18)12-21-15-3-4-17(16(11-15)19(23)24)22-6-8-26-9-7-22/h2-5,10-11,21H,6-9,12H2,1H3,(H,23,24)