2-[(4-fluorophenyl)methylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[(4-fluorophenyl)methylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(4-fluorophenyl)methylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-[(4-fluorophenyl)methylamino]-4,6-dimethyl-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(4-fluorophenyl)methylamino]-4,6-dimethyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-[(4-fluorobenzyl)amino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C15H14FN4O2+ MolecularWeight: 301.295663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC=C(C=C2)F)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC=C(C=C2)F)C#N

InChI

InChI=1S/C15H13FN4O2/c1-9-13(7-17)15(19-10(2)14(9)20(21)22)18-8-11-3-5-12(16)6-4-11/h3-6H,8H2,1-2H3,(H,18,19)/p+1