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

Systemtic Name: 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(4-ethoxyphenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(4-ethoxybenzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-2-26-17-6-3-15(4-7-17)14-21-16-5-8-19(18(13-16)20(23)24)22-9-11-25-12-10-22/h3-8,13,21H,2,9-12,14H2,1H3,(H,23,24)