methyl 5-(1-methoxypyridin-1-ium-3-yl)pentanoate; methyl sulfate

Systemtic Name: methyl 5-(1-methoxypyridin-1-ium-3-yl)pentanoate; methyl sulfate Openeye Name: methyl 5-(1-methoxypyridin-1-ium-3-yl)pentanoate; methyl sulfate CAS Name: 5-(1-methoxy-3-pyridin-1-iumyl)pentanoic acid methyl ester; methyl sulfate IUPAC Name: methyl 5-(1-methoxypyridin-1-ium-3-yl)pentanoate; methyl sulfate Traditional Name: 5-(1-methoxypyridin-1-ium-3-yl)valeric acid methyl ester; methyl sulfate Formula: C13H21NO7S MolecularWeight: 335.37334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=C[N+](=CC=C1)OC.COS(=O)(=O)[O-]

Isomeric SMILES

COC(=O)CCCCC1=C[N+](=CC=C1)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H18NO3.CH4O4S/c1-15-12(14)8-4-3-6-11-7-5-9-13(10-11)16-2;1-5-6(2,3)4/h5,7,9-10H,3-4,6,8H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1