4-[[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzyl]amino]butyrate Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCOCC2

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCOCC2

InChI

InChI=1S/C18H26N2O6/c1-24-16-12-14(13-19-17(21)4-5-18(22)23)2-3-15(16)26-11-8-20-6-9-25-10-7-20/h2-3,12H,4-11,13H2,1H3,(H,19,21)(H,22,23)