bis(trifluoromethylsulfonyl)azanide; 4-pyridin-1-ium-1-ylbutanenitrile

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; 4-pyridin-1-ium-1-ylbutanenitrile Openeye Name: bis(trifluoromethylsulfonyl)azanide; 4-pyridin-1-ium-1-ylbutanenitrile CAS Name: bis(trifluoromethylsulfonyl)azanide; 4-(1-pyridin-1-iumyl)butanenitrile IUPAC Name: bis(trifluoromethylsulfonyl)azanide; 4-pyridin-1-ium-1-ylbutanenitrile Traditional Name: ditriflylazanide; 4-pyridin-1-ium-1-ylbutyronitrile Formula: C11H11F6N3O4S2 MolecularWeight: 427.343159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCC#N.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=[N+](C=C1)CCCC#N.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H11N2.C2F6NO4S2/c10-6-2-5-9-11-7-3-1-4-8-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1,3-4,7-8H,2,5,9H2;/q+1;-1