2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(4-ethanoylpiperazin-1-ium-1-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(4-ethanoylpiperazin-1-ium-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-acetylpiperazin-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(4-acetyl-1-piperazin-1-iumyl)-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(4-acetylpiperazin-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(4-acetylpiperazin-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C19H23N5O2/c1-14(25)24-10-8-23(9-11-24)13-18(26)15(12-20)19-21(2)16-6-4-5-7-17(16)22(19)3/h4-7H,8-11,13H2,1-3H3/p+1