hydrogen sulfate; 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propyl-pyrimidin-4-amine

Systemtic Name: hydrogen sulfate; 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propyl-pyrimidin-4-amine Openeye Name: hydrogen sulfate; 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propyl-pyrimidin-4-amine CAS Name: hydrogen sulfate; 5-[(2-methyl-1-pyridin-1-iumyl)methyl]-2-propyl-4-pyrimidinamine IUPAC Name: hydrogen sulfate; 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine Traditional Name: [5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propyl-pyrimidin-4-yl]amine bisulfate Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.OS(=O)(=O)[O-]

Isomeric SMILES

CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.OS(=O)(=O)[O-]

InChI

InChI=1S/C14H19N4.H2O4S/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;1-5(2,3)4/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);(H2,1,2,3,4)/q+1;/p-1