2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-(4-methyl-1-piperazine-1,4-diiumyl)-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-(4-methylpiperazine-1,4-diium-1-yl)butyronitrile Formula: C18H25N5O+2 MolecularWeight: 327.424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C18H23N5O/c1-20-8-10-23(11-9-20)13-17(24)14(12-19)18-21(2)15-6-4-5-7-16(15)22(18)3/h4-7H,8-11,13H2,1-3H3/p+2