6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C20H23ClN7+ MolecularWeight: 396.89652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H22ClN7/c21-15-5-4-8-17(13-15)28-11-9-27(10-12-28)14-18-24-19(22)26-20(25-18)23-16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H3,22,23,24,25,26)/p+1