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

Systemtic Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N2-(m-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-N-(3-methylphenyl)-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]-(m-tolyl)amine Formula: C22H28N7O+ MolecularWeight: 406.50402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O/c1-16-5-3-6-17(13-16)24-22-26-20(25-21(23)27-22)15-28-9-11-29(12-10-28)18-7-4-8-19(14-18)30-2/h3-8,13-14H,9-12,15H2,1-2H3,(H3,23,24,25,26,27)/p+1