ethyl 4-[4-[(1-oxidanidyl-1,4-dihydroquinolin-1-ium-3-yl)methoxy]phenoxy]butanoate

Systemtic Name: ethyl 4-[4-[(1-oxidanidyl-1,4-dihydroquinolin-1-ium-3-yl)methoxy]phenoxy]butanoate Openeye Name: ethyl 4-[4-[(1-oxido-1,4-dihydroquinolin-1-ium-3-yl)methoxy]phenoxy]butanoate CAS Name: 4-[4-[(1-oxido-1,4-dihydroquinolin-1-ium-3-yl)methoxy]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(1-oxido-1,4-dihydroquinolin-1-ium-3-yl)methoxy]phenoxy]butanoate Traditional Name: 4-[4-[(1-oxido-1,4-dihydroquinolin-1-ium-3-yl)methoxy]phenoxy]butyric acid ethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)OCC2=C[NH+](C3=CC=CC=C3C2)[O-]

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)OCC2=C[NH+](C3=CC=CC=C3C2)[O-]

InChI

InChI=1S/C22H25NO5/c1-2-26-22(24)8-5-13-27-19-9-11-20(12-10-19)28-16-17-14-18-6-3-4-7-21(18)23(25)15-17/h3-4,6-7,9-12,15,23H,2,5,8,13-14,16H2,1H3