[6-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [6-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Openeye Name: [6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone CAS Name: [6-fluoro-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Traditional Name: [6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Formula: C22H24FN3O2+2 MolecularWeight: 381.443263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=C(C=C4)OC)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=C(C=C4)OC)F

InChI

InChI=1S/C22H22FN3O2/c1-25-9-11-26(12-10-25)21-18-13-16(23)5-8-20(18)24-14-19(21)22(27)15-3-6-17(28-2)7-4-15/h3-8,13-14H,9-12H2,1-2H3/p+2