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

Systemtic Name: 6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N2-naphthalen-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N2-(1-naphthyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-N2-(1-naphthalenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]-(1-naphthyl)amine Formula: C25H28N7O+ MolecularWeight: 442.53612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC(=NC(=N3)NC4=CC=CC5=CC=CC=C54)N

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC(=NC(=N3)NC4=CC=CC5=CC=CC=C54)N

InChI

InChI=1S/C25H27N7O/c1-33-22-12-5-4-11-21(22)32-15-13-31(14-16-32)17-23-28-24(26)30-25(29-23)27-20-10-6-8-18-7-2-3-9-19(18)20/h2-12H,13-17H2,1H3,(H3,26,27,28,29,30)/p+1