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

Systemtic Name: N2-(3-chloranyl-4-methyl-phenyl)-6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(3-chloro-4-methyl-phenyl)-6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-chloro-4-methylphenyl)-6-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-chloro-4-methylphenyl)-6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]-(3-chloro-4-methyl-phenyl)amine Formula: C21H24ClFN7+ MolecularWeight: 428.913563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4F)Cl

InChI

InChI=1S/C21H23ClFN7/c1-14-6-7-15(12-16(14)22)25-21-27-19(26-20(24)28-21)13-29-8-10-30(11-9-29)18-5-3-2-4-17(18)23/h2-7,12H,8-11,13H2,1H3,(H3,24,25,26,27,28)/p+1