7-(3-azanylpropylamino)-1-decyl-5,6,8-tris(fluoranyl)-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-(3-azanylpropylamino)-1-decyl-5,6,8-tris(fluoranyl)-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-(3-aminopropylamino)-1-decyl-5,6,8-trifluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-(3-aminopropylamino)-1-decyl-5,6,8-trifluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-(3-aminopropylamino)-1-decyl-5,6,8-trifluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 7-(3-aminopropylamino)-1-decyl-5,6,8-trifluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C23H33F3N3O3+ MolecularWeight: 456.52163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC(C(=O)C2=C1C(=C(C(=C2F)F)NCCCN)F)C(=O)O

Isomeric SMILES

CCCCCCCCCC[N+]1=CC(C(=O)C2=C1C(=C(C(=C2F)F)NCCCN)F)C(=O)O

InChI

InChI=1S/C23H32F3N3O3/c1-2-3-4-5-6-7-8-9-13-29-14-15(23(31)32)22(30)16-17(24)18(25)20(19(26)21(16)29)28-12-10-11-27/h14-15H,2-13,27H2,1H3,(H-,28,30,31,32)/p+1