2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Formula: C20H22FN4O3S+ MolecularWeight: 417.477083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C20H21FN4O3S/c1-15-18-7-2-3-8-19(18)20(26)25(22-15)14-23-9-11-24(12-10-23)29(27,28)17-6-4-5-16(21)13-17/h2-8,13H,9-12,14H2,1H3/p+1