4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-morpholino-1,3,5-triazin-2-amine CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-6-(4-morpholinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine Traditional Name: [4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-morpholino-s-triazin-2-yl]amine Formula: C18H25ClN7O+ MolecularWeight: 390.8904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NC(=N2)N)N3CCOCC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NC(=N2)N)N3CCOCC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H24ClN7O/c19-14-2-1-3-15(12-14)25-6-4-24(5-7-25)13-16-21-17(20)23-18(22-16)26-8-10-27-11-9-26/h1-3,12H,4-11,13H2,(H2,20,21,22,23)/p+1