8-fluoranyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde

Systemtic Name: 8-fluoranyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 8-fluoro-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 8-fluoro-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 8-fluoro-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 8-fluoro-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Formula: C15H18FN3O+2 MolecularWeight: 275.321323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C3C=CC=C(C3=[NH+]2)F)C=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C3C=CC=C(C3=[NH+]2)F)C=O

InChI

InChI=1S/C15H16FN3O/c1-18-5-7-19(8-6-18)15-12(10-20)9-11-3-2-4-13(16)14(11)17-15/h2-4,9-10H,5-8H2,1H3/p+2