4-[[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4,6-dipyrrolidino-s-triazin-2-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H31N8+ MolecularWeight: 419.54584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N)N5CCCC5

InChI

InChI=1S/C23H30N8/c24-17-19-5-7-20(8-6-19)18-28-13-15-31(16-14-28)23-26-21(29-9-1-2-10-29)25-22(27-23)30-11-3-4-12-30/h5-8H,1-4,9-16,18H2/p+1