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

Systemtic Name: 7-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H26N4O3S+2 MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

InChI

InChI=1S/C21H24N4O3S/c1-16-3-6-19(7-4-16)29(27,28)24-11-9-23(10-12-24)15-18-13-21(26)25-14-17(2)5-8-20(25)22-18/h3-8,13-14H,9-12,15H2,1-2H3/p+2