7-fluoranyl-1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one

Systemtic Name: 7-fluoranyl-1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Openeye Name: 7-fluoro-1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one CAS Name: 7-fluoro-1-methyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-quinolinone IUPAC Name: 7-fluoro-1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Traditional Name: 7-fluoro-1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]carbostyril Formula: C20H23FN4O+2 MolecularWeight: 354.421223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)F)C=C(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN1C2=C(C=CC(=C2)F)C=C(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21FN4O/c1-23-18-13-17(21)6-5-15(18)12-16(20(23)26)14-24-8-10-25(11-9-24)19-4-2-3-7-22-19/h2-7,12-13H,8-11,14H2,1H3/p+2