(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxo-butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methyl-1-piperazine-1,4-diiumyl)-3-oxobutanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxobutanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)butyronitrile Formula: C17H23N5O+2 MolecularWeight: 313.39742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C17H21N5O/c1-20-7-9-22(10-8-20)12-16(23)13(11-18)17-19-14-5-3-4-6-15(14)21(17)2/h3-6,19H,7-10,12H2,1-2H3/p+2/b17-13+