2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H22FN4O3S+ MolecularWeight: 417.477083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)C=C1

InChI

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