2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(4-o-phenetylpiperazin-1-ium-1-yl)butyronitrile Formula: C23H26N5O2+ MolecularWeight: 404.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C23H25N5O2/c1-2-30-22-10-6-5-9-20(22)28-13-11-27(12-14-28)16-21(29)17(15-24)23-25-18-7-3-4-8-19(18)26-23/h3-10,25-26H,2,11-14,16H2,1H3/p+1