2-[(3E)-2,2-dimethyl-5-(1-methylpyrrol-2-yl)-3-[(1-methylpyrrol-2-yl)-oxidanyl-methylidene]pyrrol-1-ium-1-ylidene]propanedinitrile

Systemtic Name: 2-[(3E)-2,2-dimethyl-5-(1-methylpyrrol-2-yl)-3-[(1-methylpyrrol-2-yl)-oxidanyl-methylidene]pyrrol-1-ium-1-ylidene]propanedinitrile Openeye Name: 2-[(3E)-3-[hydroxy-(1-methylpyrrol-2-yl)methylene]-2,2-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-1-ium-1-ylidene]propanedinitrile CAS Name: 2-[(3E)-3-[hydroxy-(1-methyl-2-pyrrolyl)methylidene]-2,2-dimethyl-5-(1-methyl-2-pyrrolyl)-1-pyrrol-1-iumylidene]propanedinitrile IUPAC Name: 2-[(3E)-3-[hydroxy-(1-methylpyrrol-2-yl)methylidene]-2,2-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-1-ium-1-ylidene]propanedinitrile Traditional Name: 2-[(3E)-3-[hydroxy-(1-methylpyrrol-2-yl)methylene]-2,2-dimethyl-5-(1-methylpyrrol-2-yl)-2-pyrrolin-1-ium-1-ylidene]malononitrile Formula: C20H20N5O+ MolecularWeight: 346.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=CC=CN2C)O)C=C([N+]1=C(C#N)C#N)C3=CC=CN3C)C

Isomeric SMILES

CC1(/C(=C(\C2=CC=CN2C)/O)/C=C([N+]1=C(C#N)C#N)C3=CC=CN3C)C

InChI

InChI=1S/C20H19N5O/c1-20(2)15(19(26)17-8-6-10-24(17)4)11-18(16-7-5-9-23(16)3)25(20)14(12-21)13-22/h5-11H,1-4H3/p+1/b19-15+