6-methyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 6-methyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-16-6-5-9-19-21-17(14-20(25)24(16)19)15-22-10-12-23(13-11-22)28(26,27)18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3/p+1