2-[(3E)-2,2-dimethyl-5-(4-methylphenyl)-3-[(4-methylphenyl)-oxidanyl-methylidene]pyrrol-1-ium-1-ylidene]propanedinitrile

Systemtic Name: 2-[(3E)-2,2-dimethyl-5-(4-methylphenyl)-3-[(4-methylphenyl)-oxidanyl-methylidene]pyrrol-1-ium-1-ylidene]propanedinitrile Openeye Name: 2-[(3E)-3-[hydroxy(p-tolyl)methylene]-2,2-dimethyl-5-(p-tolyl)pyrrol-1-ium-1-ylidene]propanedinitrile CAS Name: 2-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2,2-dimethyl-5-(4-methylphenyl)-1-pyrrol-1-iumylidene]propanedinitrile IUPAC Name: 2-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2,2-dimethyl-5-(4-methylphenyl)pyrrol-1-ium-1-ylidene]propanedinitrile Traditional Name: 2-[(3E)-3-[hydroxy(p-tolyl)methylene]-2,2-dimethyl-5-(p-tolyl)-2-pyrrolin-1-ium-1-ylidene]malononitrile Formula: C24H22N3O+ MolecularWeight: 368.45098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C3=CC=C(C=C3)C)O)C([N+]2=C(C#N)C#N)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C/C(=C(/C3=CC=C(C=C3)C)\O)/C([N+]2=C(C#N)C#N)(C)C

InChI

InChI=1S/C24H21N3O/c1-16-5-9-18(10-6-16)22-13-21(23(28)19-11-7-17(2)8-12-19)24(3,4)27(22)20(14-25)15-26/h5-13H,1-4H3/p+1/b23-21+