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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC(=NC(=N2)NCC3=CC=CC=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC(=NC(=N2)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H21ClN6O/c17-14-20-15(18-6-7-23-8-10-24-11-9-23)22-16(21-14)19-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,18,19,20,21,22)/p+1