1-[2-(2-cyanoaziridin-1-yl)-1-methyl-pyrrol-1-ium-1-yl]aziridine-2-carboxamide

Systemtic Name: 1-[2-(2-cyanoaziridin-1-yl)-1-methyl-pyrrol-1-ium-1-yl]aziridine-2-carboxamide Openeye Name: 1-[2-(2-cyanoaziridin-1-yl)-1-methyl-pyrrol-1-ium-1-yl]aziridine-2-carboxamide CAS Name: 1-[2-(2-cyano-1-aziridinyl)-1-methyl-1-pyrrol-1-iumyl]-2-aziridinecarboxamide IUPAC Name: 1-[2-(2-cyanoaziridin-1-yl)-1-methylpyrrol-1-ium-1-yl]aziridine-2-carboxamide Traditional Name: 1-[2-(2-cyanoethylenimin-1-yl)-1-methyl-pyrrol-1-ium-1-yl]ethylenimine-2-carboxamide Formula: C11H14N5O+ MolecularWeight: 232.26176

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC=C1N2CC2C#N)N3CC3C(=O)N

Isomeric SMILES

C[N+]1(C=CC=C1N2CC2C#N)N3CC3C(=O)N

InChI

InChI=1S/C11H13N5O/c1-16(15-7-9(15)11(13)17)4-2-3-10(16)14-6-8(14)5-12/h2-4,8-9H,6-7H2,1H3,(H-,13,17)/p+1