6-[(4-methylpiperazin-4-ium-1-yl)methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-methylpiperazin-4-ium-1-yl)methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-methylpiperazin-4-ium-1-yl)methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4-methyl-1-piperazin-4-iumyl)methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-N-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-s-triazin-2-yl]-(4-phenoxyphenyl)amine Formula: C21H26N7O+ MolecularWeight: 392.47744

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)N

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)N

InChI

InChI=1S/C21H25N7O/c1-27-11-13-28(14-12-27)15-19-24-20(22)26-21(25-19)23-16-7-9-18(10-8-16)29-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H3,22,23,24,25,26)/p+1