N2-(2-methylphenyl)-6-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-methylphenyl)-6-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(o-tolyl)-6-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C23H31N7O+2 MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H29N7O/c1-18-7-5-6-10-20(18)25-23-27-21(26-22(24)28-23)17-30-13-11-29(12-14-30)15-16-31-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H3,24,25,26,27,28)/p+2