methyl sulfate; 1,2,5-trimethylpyridin-1-ium

Systemtic Name: methyl sulfate; 1,2,5-trimethylpyridin-1-ium Openeye Name: methyl sulfate; 1,2,5-trimethylpyridin-1-ium CAS Name: methyl sulfate; 1,2,5-trimethylpyridin-1-ium IUPAC Name: methyl sulfate; 1,2,5-trimethylpyridin-1-ium Traditional Name: methyl sulfate; 1,2,5-trimethylpyridin-1-ium Formula: C9H15NO4S MolecularWeight: 233.2847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C=C1)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C[N+](=C(C=C1)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C8H12N.CH4O4S/c1-7-4-5-8(2)9(3)6-7;1-5-6(2,3)4/h4-6H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1