(2Z)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: (2Z)-4-(4-benzylpiperazin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: (2Z)-4-(4-benzylpiperazin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2Z)-4-(4-benzylpiperazin-1-ium-1-yl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C23H26N5O+ MolecularWeight: 388.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(\C#N)/C(=O)C[NH+]3CCN(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+1/b23-19-