2-[2-(4-fluorophenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(4-fluorophenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(4-fluorophenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-[2-(4-fluorophenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(4-fluorophenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-[2-(4-fluorophenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C17H18FN4O3+ MolecularWeight: 345.348223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[NH+]1)NCCC2=CC=C(C=C2)F)C#N)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=[NH+]1)NCCC2=CC=C(C=C2)F)C#N)COC)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN4O3/c1-11-16(22(23)24)15(10-25-2)14(9-19)17(21-11)20-8-7-12-3-5-13(18)6-4-12/h3-6H,7-8,10H2,1-2H3,(H,20,21)/p+1