4-(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-(3-cyano-6-ethoxy-2-quinolin-1-iumyl)-N-(2-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-cyano-6-ethoxyquinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide Formula: C23H23FN5O2+ MolecularWeight: 420.459423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)NC4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C23H22FN5O2/c1-2-31-18-7-8-20-16(14-18)13-17(15-25)22(26-20)28-9-11-29(12-10-28)23(30)27-21-6-4-3-5-19(21)24/h3-8,13-14H,2,9-12H2,1H3,(H,27,30)/p+1