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

Systemtic Name: N2-(2,4-dimethylphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2,4-dimethylphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2,4-dimethylphenyl)-6-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2,4-dimethylphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-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]-(2,4-dimethylphenyl)amine Formula: C23H30N7O+ MolecularWeight: 420.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O/c1-16-7-8-20(17(2)13-16)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)18-5-4-6-19(14-18)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)/p+1