4,6-dimethyl-5-nitro-2-(pyridin-2-ylmethylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-nitro-2-(pyridin-2-ylmethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-5-nitro-2-(2-pyridylmethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-5-nitro-2-(2-pyridinylmethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-5-nitro-2-(pyridin-2-ylmethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-dimethyl-5-nitro-2-(2-pyridylmethylamino)pyridin-1-ium-3-carbonitrile Formula: C14H14N5O2+ MolecularWeight: 284.29326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC=CC=N2)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC=CC=N2)C#N

InChI

InChI=1S/C14H13N5O2/c1-9-12(7-15)14(18-10(2)13(9)19(20)21)17-8-11-5-3-4-6-16-11/h3-6H,8H2,1-2H3,(H,17,18)/p+1