N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]propanamide

Systemtic Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]propanamide Openeye Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]propanamide CAS Name: N-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]propanamide IUPAC Name: N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]propanamide Traditional Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]propionamide Formula: C17H21N4O2+ MolecularWeight: 313.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCNC1=[NH+]C2=C(C=C(C=C2)OCC)C=C1C#N

Isomeric SMILES

CCC(=O)NCCNC1=[NH+]C2=C(C=C(C=C2)OCC)C=C1C#N

InChI

InChI=1S/C17H20N4O2/c1-3-16(22)19-7-8-20-17-13(11-18)9-12-10-14(23-4-2)5-6-15(12)21-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,22)(H,20,21)/p+1