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

Systemtic Name: 2-morpholin-4-ium-4-yl-5-[(2,4,5-trimethoxyphenyl)methylamino]benzoate Openeye Name: 2-morpholin-4-ium-4-yl-5-[(2,4,5-trimethoxyphenyl)methylamino]benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-[(2,4,5-trimethoxyphenyl)methylamino]benzoate IUPAC Name: 2-morpholin-4-ium-4-yl-5-[(2,4,5-trimethoxyphenyl)methylamino]benzoate Traditional Name: 2-morpholin-4-ium-4-yl-5-[(2,4,5-trimethoxybenzyl)amino]benzoate Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c1-26-18-12-20(28-3)19(27-2)10-14(18)13-22-15-4-5-17(16(11-15)21(24)25)23-6-8-29-9-7-23/h4-5,10-12,22H,6-9,13H2,1-3H3,(H,24,25)