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

Systemtic Name: 5-nitro-2-[4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-[4-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C20H20N6O3+2 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H18N6O3/c21-13-15-11-17(26(28)29)4-5-18(15)24-9-7-23(8-10-24)14-16-12-20(27)25-6-2-1-3-19(25)22-16/h1-6,11-12H,7-10,14H2/p+2