2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H25N6O4S+ MolecularWeight: 457.526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C21H24N6O4S/c28-21-15-20(23-19-3-1-2-6-27(19)21)25-9-7-24(8-10-25)18-5-4-17(16-22-18)32(29,30)26-11-13-31-14-12-26/h1-6,15-16H,7-14H2/p+1