2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23FN4O3S+2 MolecularWeight: 418.485023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

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