2-(azepan-1-yl)-N-(4-fluorophenyl)quinolin-1-ium-4-carboxamide

Systemtic Name: 2-(azepan-1-yl)-N-(4-fluorophenyl)quinolin-1-ium-4-carboxamide Openeye Name: 2-(azepan-1-yl)-N-(4-fluorophenyl)quinolin-1-ium-4-carboxamide CAS Name: 2-(1-azepanyl)-N-(4-fluorophenyl)-4-quinolin-1-iumcarboxamide IUPAC Name: 2-(azepan-1-yl)-N-(4-fluorophenyl)quinolin-1-ium-4-carboxamide Traditional Name: 2-(azepan-1-yl)-N-(4-fluorophenyl)quinolin-1-ium-4-carboxamide Formula: C22H23FN3O+ MolecularWeight: 364.435923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O/c23-16-9-11-17(12-10-16)24-22(27)19-15-21(26-13-5-1-2-6-14-26)25-20-8-4-3-7-18(19)20/h3-4,7-12,15H,1-2,5-6,13-14H2,(H,24,27)/p+1