1-[2-(1-oxidanidylquinolin-1-ium-8-yl)carbonylphenyl]hexyl ethanoate

Systemtic Name: 1-[2-(1-oxidanidylquinolin-1-ium-8-yl)carbonylphenyl]hexyl ethanoate Openeye Name: 1-[2-(1-oxidoquinolin-1-ium-8-carbonyl)phenyl]hexyl acetate CAS Name: acetic acid 1-[2-[(1-oxido-8-quinolin-1-iumyl)-oxomethyl]phenyl]hexyl ester IUPAC Name: 1-[2-(1-oxidoquinolin-1-ium-8-carbonyl)phenyl]hexyl acetate Traditional Name: acetic acid 1-[2-(1-oxidoquinolin-1-ium-8-carbonyl)phenyl]hexyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1C(=O)C2=CC=CC3=C2[N+](=CC=C3)[O-])OC(=O)C

Isomeric SMILES

CCCCCC(C1=CC=CC=C1C(=O)C2=CC=CC3=C2[N+](=CC=C3)[O-])OC(=O)C

InChI

InChI=1S/C24H25NO4/c1-3-4-5-15-22(29-17(2)26)19-12-6-7-13-20(19)24(27)21-14-8-10-18-11-9-16-25(28)23(18)21/h6-14,16,22H,3-5,15H2,1-2H3