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

Systemtic Name: 6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4-ethyl-1-piperazin-4-iumyl)methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-N-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-s-triazin-2-yl]-(4-phenoxyphenyl)amine Formula: C22H28N7O+ MolecularWeight: 406.50402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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