N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4-difluoro-benzamide CAS Name: N-[3-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]propyl]-3,4-difluorobenzamide IUPAC Name: N-[3-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]propyl]-3,4-difluorobenzamide Traditional Name: N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3,4-difluoro-benzamide Formula: C22H21F2N4O2+ MolecularWeight: 411.424546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C22H20F2N4O2/c1-2-30-17-5-7-20-15(11-17)10-16(13-25)21(28-20)26-8-3-9-27-22(29)14-4-6-18(23)19(24)12-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,26,28)(H,27,29)/p+1