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

Systemtic Name: 6-chloranyl-N2-(3-methylphenyl)-N4-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-chloro-N4-(2-morpholin-4-ium-4-ylethyl)-N2-(m-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-chloro-N2-(3-methylphenyl)-N4-[2-(4-morpholin-4-iumyl)ethyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-chloro-2-N-(3-methylphenyl)-4-N-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-chloro-6-(2-morpholin-4-ium-4-ylethylamino)-s-triazin-2-yl]-(m-tolyl)amine Formula: C16H22ClN6O+ MolecularWeight: 349.83848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=N2)Cl)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=N2)Cl)NCC[NH+]3CCOCC3

InChI

InChI=1S/C16H21ClN6O/c1-12-3-2-4-13(11-12)19-16-21-14(17)20-15(22-16)18-5-6-23-7-9-24-10-8-23/h2-4,11H,5-10H2,1H3,(H2,18,19,20,21,22)/p+1