4-(3,4-dimethylphenoxy)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(3,4-dimethylphenoxy)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(3,4-dimethylphenoxy)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-oxo-butanenitrile CAS Name: 4-(3,4-dimethylphenoxy)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-oxobutanenitrile IUPAC Name: 4-(3,4-dimethylphenoxy)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-oxobutanenitrile Traditional Name: 4-(3,4-dimethylphenoxy)-3-keto-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)butyronitrile Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)C(C#N)C2=[N+](C3=CC=CC=C3N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)C(C#N)C2=[N+](C3=CC=CC=C3N2)C)C

InChI

InChI=1S/C20H19N3O2/c1-13-8-9-15(10-14(13)2)25-12-19(24)16(11-21)20-22-17-6-4-5-7-18(17)23(20)3/h4-10,16H,12H2,1-3H3/p+1