1-hexyl-4-oxidanylidene-3-[2-(triethylazaniumyl)ethylcarbamoyl]quinolin-2-olate

Systemtic Name: 1-hexyl-4-oxidanylidene-3-[2-(triethylazaniumyl)ethylcarbamoyl]quinolin-2-olate Openeye Name: 1-hexyl-4-oxo-3-[2-(triethylammonio)ethylcarbamoyl]quinolin-2-olate CAS Name: 1-hexyl-4-oxo-3-[oxo-[2-(triethylammonio)ethylamino]methyl]-2-quinolinolate IUPAC Name: 1-hexyl-4-oxo-3-[2-(triethylazaniumyl)ethylcarbamoyl]quinolin-2-olate Traditional Name: 1-hexyl-4-keto-3-[2-(triethylammonio)ethylcarbamoyl]quinolin-2-olate Formula: C24H37N3O3 MolecularWeight: 415.56888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC[N+](CC)(CC)CC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC[N+](CC)(CC)CC

InChI

InChI=1S/C24H37N3O3/c1-5-9-10-13-17-26-20-15-12-11-14-19(20)22(28)21(24(26)30)23(29)25-16-18-27(6-2,7-3)8-4/h11-12,14-15H,5-10,13,16-18H2,1-4H3,(H-,25,28,29,30)