2-[(Z)-3-(4-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-prop-1-enyl]propanedinitrile

Systemtic Name: 2-[(Z)-3-(4-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-prop-1-enyl]propanedinitrile Openeye Name: 2-[(Z)-3-(4-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-prop-1-enyl]propanedinitrile CAS Name: 2-[(Z)-3-(4-chlorophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxoprop-1-enyl]propanedinitrile IUPAC Name: 2-[(Z)-3-(4-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxoprop-1-enyl]propanedinitrile Traditional Name: 2-[(Z)-3-(4-chlorophenyl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)prop-1-enyl]malononitrile Formula: C18H13ClN3O+ MolecularWeight: 322.76832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN3O/c1-13-3-2-8-22(12-13)17(9-14(10-20)11-21)18(23)15-4-6-16(19)7-5-15/h2-9,12,14H,1H3/q+1/b17-9-