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

Systemtic Name: 7-fluoranyl-1-[(3-methoxyphenyl)methyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Openeye Name: 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one CAS Name: 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-quinolinone IUPAC Name: 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Traditional Name: 7-fluoro-1-m-anisyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]carbostyril Formula: C27H29FN4O2+2 MolecularWeight: 460.543163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)F)C=C(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)F)C=C(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H27FN4O2/c1-34-24-6-4-5-20(15-24)18-32-25-17-23(28)9-8-21(25)16-22(27(32)33)19-30-11-13-31(14-12-30)26-7-2-3-10-29-26/h2-10,15-17H,11-14,18-19H2,1H3/p+2