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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-(4-phenyl-1-piperazin-1-iumyl)butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-(4-phenylpiperazin-1-ium-1-yl)butyronitrile Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N5O/c1-25-20-10-6-7-11-21(20)26(2)23(25)19(16-24)22(29)17-27-12-14-28(15-13-27)18-8-4-3-5-9-18/h3-11H,12-15,17H2,1-2H3/p+1