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

Systemtic Name: 6-ethoxy-N2-(4-iodanyl-2-methyl-phenyl)-N4-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-ethoxy-N2-(4-iodo-2-methyl-phenyl)-N4-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-ethoxy-N2-(4-iodo-2-methylphenyl)-N4-[2-(4-morpholin-4-iumyl)ethyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-ethoxy-2-N-(4-iodo-2-methylphenyl)-4-N-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-ethoxy-6-(4-iodo-2-methyl-anilino)-s-triazin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C18H26IN6O2+ MolecularWeight: 485.34251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)NCC[NH+]2CCOCC2)NC3=C(C=C(C=C3)I)C

Isomeric SMILES

CCOC1=NC(=NC(=N1)NCC[NH+]2CCOCC2)NC3=C(C=C(C=C3)I)C

InChI

InChI=1S/C18H25IN6O2/c1-3-27-18-23-16(20-6-7-25-8-10-26-11-9-25)22-17(24-18)21-15-5-4-14(19)12-13(15)2/h4-5,12H,3,6-11H2,1-2H3,(H2,20,21,22,23,24)/p+1