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

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazino]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H22FN4O3S+ MolecularWeight: 417.477083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

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