2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanenitrile

Systemtic Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanenitrile Openeye Name: 4-(4-benzylpiperazine-1,4-diium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]butanenitrile IUPAC Name: 4-(4-benzylpiperazine-1,4-diium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(4-benzylpiperazine-1,4-diium-1-yl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C23H27N5O+2 MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O/c1-26-21-10-6-5-9-20(21)25-23(26)19(15-24)22(29)17-28-13-11-27(12-14-28)16-18-7-3-2-4-8-18/h2-10,25H,11-14,16-17H2,1H3/p+2