5-[[4-(diethylazaniumyl)phenyl]methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: 5-[[4-(diethylazaniumyl)phenyl]methylamino]-2-morpholin-4-yl-benzoate Openeye Name: 5-[[4-(diethylammonio)phenyl]methylamino]-2-morpholino-benzoate CAS Name: 5-[[4-(diethylammonio)phenyl]methylamino]-2-(4-morpholinyl)benzoate IUPAC Name: 5-[[4-(diethylazaniumyl)phenyl]methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-(diethylammonio)benzyl]amino]-2-morpholino-benzoate Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1=CC=C(C=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)C1=CC=C(C=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C22H29N3O3/c1-3-24(4-2)19-8-5-17(6-9-19)16-23-18-7-10-21(20(15-18)22(26)27)25-11-13-28-14-12-25/h5-10,15,23H,3-4,11-14,16H2,1-2H3,(H,26,27)