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

Systemtic Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-2-phenoxy-acetamide CAS Name: N-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-2-phenoxyacetamide IUPAC Name: N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-2-phenoxyacetamide Traditional Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-2-phenoxy-acetamide Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3/c1-2-28-19-8-9-20-16(13-19)12-17(14-23)22(26-20)25-11-10-24-21(27)15-29-18-6-4-3-5-7-18/h3-9,12-13H,2,10-11,15H2,1H3,(H,24,27)(H,25,26)/p+1