4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline Formula: C21H29N6+ MolecularWeight: 365.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C2N1C3=CC=CC=C3N=C2N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

CCC1=NN=C2N1C3=CC=CC=C3N=C2N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C21H28N6/c1-2-19-23-24-21-20(22-17-10-6-7-11-18(17)27(19)21)26-14-12-25(13-15-26)16-8-4-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3/p+1