3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-fluoranyl-1-(pyridin-3-ylmethyl)quinolin-2-one

Systemtic Name: 3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-fluoranyl-1-(pyridin-3-ylmethyl)quinolin-2-one Openeye Name: 3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-fluoro-1-(3-pyridylmethyl)quinolin-2-one CAS Name: 3-[[4-(2,4-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-7-fluoro-1-(3-pyridinylmethyl)-2-quinolinone IUPAC Name: 3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one Traditional Name: 3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-fluoro-1-(3-pyridylmethyl)carbostyril Formula: C28H30FN4O+ MolecularWeight: 457.562403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C(C=C4)F)N(C3=O)CC5=CN=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C(C=C4)F)N(C3=O)CC5=CN=CC=C5)C

InChI

InChI=1S/C28H29FN4O/c1-20-5-8-26(21(2)14-20)32-12-10-31(11-13-32)19-24-15-23-6-7-25(29)16-27(23)33(28(24)34)18-22-4-3-9-30-17-22/h3-9,14-17H,10-13,18-19H2,1-2H3/p+1