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

Systemtic Name: 4-[[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzyl]amino]-4-keto-butyrate Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCOCC2

InChI

InChI=1S/C19H28N2O6/c1-2-26-17-13-15(14-20-18(22)5-6-19(23)24)3-4-16(17)27-12-9-21-7-10-25-11-8-21/h3-4,13H,2,5-12,14H2,1H3,(H,20,22)(H,23,24)