4-(dimethylamino)-2-[2-[[(3-fluorophenyl)methoxyamino]methylidene]pyrrol-1-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 4-(dimethylamino)-2-[2-[[(3-fluorophenyl)methoxyamino]methylidene]pyrrol-1-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 4-(dimethylamino)-2-[2-[[(3-fluorophenyl)methoxyamino]methylene]pyrrol-1-ium-1-yl]pyridine-3-carbonitrile CAS Name: 4-(dimethylamino)-2-[2-[[(3-fluorophenyl)methoxyamino]methylidene]-1-pyrrol-1-iumyl]-3-pyridinecarbonitrile IUPAC Name: 4-(dimethylamino)-2-[2-[[(3-fluorophenyl)methoxyamino]methylidene]pyrrol-1-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 4-(dimethylamino)-2-[2-[[(3-fluorobenzyl)oxyamino]methylene]pyrrol-1-ium-1-yl]nicotinonitrile Formula: C20H19FN5O+ MolecularWeight: 364.396163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=NC=C1)[N+]2=CC=CC2=CNOCC3=CC(=CC=C3)F)C#N

Isomeric SMILES

CN(C)C1=C(C(=NC=C1)[N+]2=CC=CC2=CNOCC3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C20H18FN5O/c1-25(2)19-8-9-23-20(18(19)12-22)26-10-4-7-17(26)13-24-27-14-15-5-3-6-16(21)11-15/h3-11,13H,14H2,1-2H3/p+1