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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3,5-dicarbonitrile Formula: C15H19N7O+2 MolecularWeight: 313.35766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

InChI

InChI=1S/C15H17N7O/c16-2-1-11-12(9-17)14(19)20-15(13(11)10-18)22-5-3-21(4-6-22)7-8-23/h23H,1,3-8H2,(H2,19,20)/p+2