2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H22FN4O3S+ MolecularWeight: 417.477083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

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