4-(4-methylpyrazin-4-ium-2-yl)butane-1,2-diol iodide

Systemtic Name: 4-(4-methylpyrazin-4-ium-2-yl)butane-1,2-diol iodide Openeye Name: 4-(4-methylpyrazin-4-ium-2-yl)butane-1,2-diol iodide CAS Name: 4-(4-methyl-2-pyrazin-4-iumyl)butane-1,2-diol iodide IUPAC Name: 4-(4-methylpyrazin-4-ium-2-yl)butane-1,2-diol iodide Traditional Name: 4-(4-methylpyrazin-4-ium-2-yl)butane-1,2-diol iodide Formula: C9H15IN2O2 MolecularWeight: 310.13207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=NC=C1)CCC(CO)O.[I-]

Isomeric SMILES

C[N+]1=CC(=NC=C1)CCC(CO)O.[I-]

InChI

InChI=1S/C9H15N2O2.HI/c1-11-5-4-10-8(6-11)2-3-9(13)7-12;/h4-6,9,12-13H,2-3,7H2,1H3;1H/q+1;/p-1