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

Systemtic Name: 4-[[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(2-morpholin-4-ium-4-ylethoxy)benzyl]amino]butyrate Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=CC=CC(=C2)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCOC2=CC=CC(=C2)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H24N2O5/c20-16(4-5-17(21)22)18-13-14-2-1-3-15(12-14)24-11-8-19-6-9-23-10-7-19/h1-3,12H,4-11,13H2,(H,18,20)(H,21,22)