N6-(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)-1,2-dimethyl-quinolin-1-ium-4,6-diamine; methyl sulfate

Systemtic Name: N6-(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)-1,2-dimethyl-quinolin-1-ium-4,6-diamine; methyl sulfate Openeye Name: N6-(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)-1,2-dimethyl-quinolin-1-ium-4,6-diamine; methyl sulfate CAS Name: N6-(2-amino-1,6-dimethyl-4-pyrimidin-1-iumyl)-1,2-dimethylquinolin-1-ium-4,6-diamine; methyl sulfate IUPAC Name: 6-N-(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)-1,2-dimethylquinolin-1-ium-4,6-diamine; methyl sulfate Traditional Name: (2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)-(4-amino-1,2-dimethyl-quinolin-1-ium-6-yl)amine; methyl sulfate Formula: C18H25N6O4S+ MolecularWeight: 421.4939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1C)N)NC2=CC3=C(C=C2)[N+](=C(C=C3N)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=[N+]1C)N)NC2=CC3=C(C=C2)[N+](=C(C=C3N)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H20N6.CH4O4S/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16;1-5-6(2,3)4/h5-9,18H,1-4H3,(H2,19,20,21);1H3,(H,2,3,4)/p+1