7-bromanyl-2-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H18BrN4O4S+ MolecularWeight: 466.32892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C18H17BrN4O4S/c19-13-3-5-16-20-14(9-18(25)23(16)10-13)11-21-12-15(4-6-17(21)24)28(26,27)22-7-1-2-8-22/h3-6,9-10,12H,1-2,7-8,11H2/p+1