2-(4-fluorophenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C22H22FN4O+ MolecularWeight: 377.434683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)CC1

InChI

InChI=1S/C22H21FN4O/c1-27-12-10-17(11-13-27)25-26-22(28)19-14-21(15-6-8-16(23)9-7-15)24-20-5-3-2-4-18(19)20/h2-9,14H,10-13H2,1H3,(H,26,28)/p+1