(7-azanyl-1-butoxy-1-butyl-2-oxidanylidene-quinolin-1-ium-3-yl) ethanoate

Systemtic Name: (7-azanyl-1-butoxy-1-butyl-2-oxidanylidene-quinolin-1-ium-3-yl) ethanoate Openeye Name: (7-amino-1-butoxy-1-butyl-2-oxo-quinolin-1-ium-3-yl) acetate CAS Name: acetic acid (7-amino-1-butoxy-1-butyl-2-oxo-3-quinolin-1-iumyl) ester IUPAC Name: (7-amino-1-butoxy-1-butyl-2-oxoquinolin-1-ium-3-yl) acetate Traditional Name: acetic acid (7-amino-1-butoxy-1-butyl-2-keto-quinolin-1-ium-3-yl) ester Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2=C(C=CC(=C2)N)C=C(C1=O)OC(=O)C)OCCCC

Isomeric SMILES

CCCC[N+]1(C2=C(C=CC(=C2)N)C=C(C1=O)OC(=O)C)OCCCC

InChI

InChI=1S/C19H26N2O4/c1-4-6-10-21(24-11-7-5-2)17-13-16(20)9-8-15(17)12-18(19(21)23)25-14(3)22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H-,20,23)/p+1