(2E)-4-(4-ethanoylpiperazin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-(4-ethanoylpiperazin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-(4-acetylpiperazin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-(4-acetyl-1-piperazin-1-iumyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-(4-acetylpiperazin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-(4-acetylpiperazin-1-ium-1-yl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C18H21N5O2/c1-13(24)23-9-7-22(8-10-23)12-17(25)14(11-19)18-20-15-5-3-4-6-16(15)21(18)2/h3-6,20H,7-10,12H2,1-2H3/p+1/b18-14+