2-azanyl-4-(cyanomethyl)-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[4-(2-furoyl)piperazino]pyridin-1-ium-3,5-dicarbonitrile Formula: C18H16N7O2+ MolecularWeight: 362.36534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H15N7O2/c19-4-3-12-13(10-20)16(22)23-17(14(12)11-21)24-5-7-25(8-6-24)18(26)15-2-1-9-27-15/h1-2,9H,3,5-8H2,(H2,22,23)/p+1