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

Systemtic Name: 4-[2-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[4-methoxy-3-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[2-[4-methoxy-3-(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=C(C=C(C=C1)CCNC(=O)CCC(=O)[O-])OCC[NH+]2CCOCC2

Isomeric SMILES

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

InChI

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