N2-(4-iodanyl-2-methyl-phenyl)-N4-(2-morpholin-4-ium-4-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(4-iodanyl-2-methyl-phenyl)-N4-(2-morpholin-4-ium-4-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2-(4-iodo-2-methyl-phenyl)-N4-(2-morpholin-4-ium-4-ylethyl)-6-morpholino-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-iodo-2-methylphenyl)-N4-[2-(4-morpholin-4-iumyl)ethyl]-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-iodo-2-methylphenyl)-4-N-(2-morpholin-4-ium-4-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine Traditional Name: [4-(4-iodo-2-methyl-anilino)-6-morpholino-s-triazin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C20H29IN7O2+ MolecularWeight: 526.39443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=NC(=NC(=N2)N3CCOCC3)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=NC(=NC(=N2)N3CCOCC3)NCC[NH+]4CCOCC4

InChI

InChI=1S/C20H28IN7O2/c1-15-14-16(21)2-3-17(15)23-19-24-18(22-4-5-27-6-10-29-11-7-27)25-20(26-19)28-8-12-30-13-9-28/h2-3,14H,4-13H2,1H3,(H2,22,23,24,25,26)/p+1