2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]quinoline-4-carboxamide

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]quinoline-4-carboxamide Openeye Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]quinoline-4-carboxamide CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-4-quinolinecarboxamide IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]quinoline-4-carboxamide Traditional Name: 2-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]cinchoninamide Formula: C22H24FN4O+ MolecularWeight: 379.450563

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N)CC4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O/c23-17-8-6-16(7-9-17)15-26-10-3-11-27(13-12-26)21-14-19(22(24)28)18-4-1-2-5-20(18)25-21/h1-2,4-9,14H,3,10-13,15H2,(H2,24,28)/p+1