3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one Openeye Name: 3-[[4-(dimethylamino)-6-(isobutylamino)-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one CAS Name: 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one IUPAC Name: 3-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one Traditional Name: 3-[[4-(dimethylamino)-6-(isobutylamino)-s-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one Formula: C14H22N7O2+ MolecularWeight: 320.37018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC(=N1)OC2C=CC(=O)[N+](=N2)C)N(C)C

Isomeric SMILES

CC(C)CNC1=NC(=NC(=N1)OC2C=CC(=O)[N+](=N2)C)N(C)C

InChI

InChI=1S/C14H22N7O2/c1-9(2)8-15-12-16-13(20(3)4)18-14(17-12)23-10-6-7-11(22)21(5)19-10/h6-7,9-10H,8H2,1-5H3,(H,15,16,17,18)/q+1