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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCOCC2)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCOCC2)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H28N2O6/c1-25-16-4-2-3-15(7-8-20-17(22)5-6-18(23)24)19(16)27-14-11-21-9-12-26-13-10-21/h2-4H,5-14H2,1H3,(H,20,22)(H,23,24)