4-[[2-(2-morpholin-4-ium-4-ylethoxy)naphthalen-1-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-(2-morpholin-4-ium-4-ylethoxy)naphthalen-1-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-(2-morpholin-4-ium-4-ylethoxy)-1-naphthyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[2-[2-(4-morpholin-4-iumyl)ethoxy]-1-naphthalenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[2-(2-morpholin-4-ium-4-ylethoxy)naphthalen-1-yl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(2-morpholin-4-ium-4-ylethoxy)-1-naphthyl]methylamino]butyrate Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C3=CC=CC=C3C=C2)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C3=CC=CC=C3C=C2)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H26N2O5/c24-20(7-8-21(25)26)22-15-18-17-4-2-1-3-16(17)5-6-19(18)28-14-11-23-9-12-27-13-10-23/h1-6H,7-15H2,(H,22,24)(H,25,26)