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

Systemtic Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C21H26N7O+ MolecularWeight: 392.47744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H25N7O/c1-29-18-9-5-8-17(14-18)28-12-10-27(11-13-28)15-19-24-20(22)26-21(25-19)23-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H3,22,23,24,25,26)/p+1