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

Systemtic Name: 6-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N2,N2-diphenyl-1,3,5-triazin-3-ium-2,4-diamine Openeye Name: 6-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N2,N2-diphenyl-1,3,5-triazin-3-ium-2,4-diamine CAS Name: 6-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-N2,N2-diphenyl-1,3,5-triazin-3-ium-2,4-diamine IUPAC Name: 6-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-N,2-N-diphenyl-1,3,5-triazin-3-ium-2,4-diamine Traditional Name: [6-amino-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-s-triazin-1-ium-2-yl]-diphenyl-amine Formula: C27H31N7O+2 MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC(=[NH+]C(=N3)N(C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC(=[NH+]C(=N3)N(C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C27H29N7O/c1-35-24-14-12-21(13-15-24)33-18-16-32(17-19-33)20-25-29-26(28)31-27(30-25)34(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15H,16-20H2,1H3,(H2,28,29,30,31)/p+2