2-[4-(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazino]sulfonylbenzonitrile Formula: C19H18N5O3S+ MolecularWeight: 396.44292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=O)[N+]3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=O)[N+]3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H17N5O3S/c20-14-15-5-1-2-6-16(15)28(26,27)23-11-9-22(10-12-23)18-13-19(25)24-8-4-3-7-17(24)21-18/h1-8,13H,9-12H2/p+1