3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-[[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H20BrN4O4S+ MolecularWeight: 492.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC=C(C2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC=C(C2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H19BrN4O4S/c1-14-5-6-18-22-12-17(20(27)25(18)13-14)19(26)23-7-9-24(10-8-23)30(28,29)16-4-2-3-15(21)11-16/h2-6,11-13H,7-10H2,1H3/p+1