6-[(4-phenethylpiperazine-1,4-diium-1-yl)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-phenethylpiperazine-1,4-diium-1-yl)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-phenethylpiperazine-1,4-diium-1-yl)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4-phenethyl-1-piperazine-1,4-diiumyl)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-phenethylpiperazine-1,4-diium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-phenethylpiperazine-1,4-diium-1-yl)methyl]-s-triazin-2-yl]-phenyl-amine Formula: C22H29N7+2 MolecularWeight: 391.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC2=CC=CC=C2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC2=CC=CC=C2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H27N7/c23-21-25-20(26-22(27-21)24-19-9-5-2-6-10-19)17-29-15-13-28(14-16-29)12-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H3,23,24,25,26,27)/p+2