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

Systemtic Name: 4,6-dimethyl-5-nitro-2-(phenethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-5-nitro-2-(phenethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-5-nitro-2-(phenethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-5-nitro-2-(phenethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-dimethyl-5-nitro-2-(phenethylamino)pyridin-1-ium-3-carbonitrile Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCCC2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H16N4O2/c1-11-14(10-17)16(19-12(2)15(11)20(21)22)18-9-8-13-6-4-3-5-7-13/h3-7H,8-9H2,1-2H3,(H,18,19)/p+1