N4-(4-iodophenyl)-6-methoxy-N2-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: N4-(4-iodophenyl)-6-methoxy-N2-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine Openeye Name: N4-(4-iodophenyl)-6-methoxy-N2-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine CAS Name: N4-(4-iodophenyl)-6-methoxy-N2-[2-(4-morpholin-4-iumyl)ethyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 4-N-(4-iodophenyl)-6-methoxy-2-N-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-(4-iodoanilino)-6-methoxy-s-triazin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C16H22IN6O2+ MolecularWeight: 457.28935

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NCC[NH+]2CCOCC2)NC3=CC=C(C=C3)I

Isomeric SMILES

COC1=NC(=NC(=N1)NCC[NH+]2CCOCC2)NC3=CC=C(C=C3)I

InChI

InChI=1S/C16H21IN6O2/c1-24-16-21-14(18-6-7-23-8-10-25-11-9-23)20-15(22-16)19-13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3,(H2,18,19,20,21,22)/p+1