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

Systemtic Name: 4-chloranyl-N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]benzamide Openeye Name: 4-chloro-N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]benzamide CAS Name: 4-chloro-N-[3-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]propyl]benzamide IUPAC Name: 4-chloro-N-[3-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]propyl]benzamide Traditional Name: 4-chloro-N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]benzamide Formula: C22H22ClN4O2+ MolecularWeight: 409.88868

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2/c1-2-29-19-8-9-20-16(13-19)12-17(14-24)21(27-20)25-10-3-11-26-22(28)15-4-6-18(23)7-5-15/h4-9,12-13H,2-3,10-11H2,1H3,(H,25,27)(H,26,28)/p+1