5-[(3-methoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[(3-methoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(3-methoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(3-methoxyphenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(3-methoxyphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-(m-anisylamino)-2-morpholin-4-ium-4-yl-benzoate Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4/c1-24-16-4-2-3-14(11-16)13-20-15-5-6-18(17(12-15)19(22)23)21-7-9-25-10-8-21/h2-6,11-12,20H,7-10,13H2,1H3,(H,22,23)