1-[5-(2-cyanoaziridin-1-yl)-1-methyl-2H-pyridin-1-ium-1-yl]aziridine-2-carboxamide

Systemtic Name: 1-[5-(2-cyanoaziridin-1-yl)-1-methyl-2H-pyridin-1-ium-1-yl]aziridine-2-carboxamide Openeye Name: 1-[5-(2-cyanoaziridin-1-yl)-1-methyl-2H-pyridin-1-ium-1-yl]aziridine-2-carboxamide CAS Name: 1-[5-(2-cyano-1-aziridinyl)-1-methyl-2H-pyridin-1-ium-1-yl]-2-aziridinecarboxamide IUPAC Name: 1-[5-(2-cyanoaziridin-1-yl)-1-methyl-2H-pyridin-1-ium-1-yl]aziridine-2-carboxamide Traditional Name: 1-[5-(2-cyanoethylenimin-1-yl)-1-methyl-2H-pyridin-1-ium-1-yl]ethylenimine-2-carboxamide Formula: C12H16N5O+ MolecularWeight: 246.28834

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC=CC(=C1)N2CC2C#N)N3CC3C(=O)N

Isomeric SMILES

C[N+]1(CC=CC(=C1)N2CC2C#N)N3CC3C(=O)N

InChI

InChI=1S/C12H15N5O/c1-17(16-7-11(16)12(14)18)4-2-3-9(8-17)15-6-10(15)5-13/h2-3,8,10-11H,4,6-7H2,1H3,(H-,14,18)/p+1