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

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O4S/c1-28-17-5-7-18(8-6-17)29(26,27)23-12-10-22(11-13-23)15-16-14-20(25)24-9-3-2-4-19(24)21-16/h2-9,14H,10-13,15H2,1H3/p+1