N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-(2-oxidanylphenoxy)ethanamide; methyl sulfate

Systemtic Name: N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-(2-oxidanylphenoxy)ethanamide; methyl sulfate Openeye Name: 2-(2-hydroxyphenoxy)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]acetamide; methyl sulfate CAS Name: 2-(2-hydroxyphenoxy)-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]acetamide; methyl sulfate IUPAC Name: 2-(2-hydroxyphenoxy)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]acetamide; methyl sulfate Traditional Name: 2-(2-hydroxyphenoxy)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]acetamide; methyl sulfate Formula: C17H28N2O7S MolecularWeight: 404.47842

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCNC(=O)COC2=CC=CC=C2O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)CCNC(=O)COC2=CC=CC=C2O.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H24N2O3.CH4O4S/c1-18(10-5-2-6-11-18)12-9-17-16(20)13-21-15-8-4-3-7-14(15)19;1-5-6(2,3)4/h3-4,7-8H,2,5-6,9-13H2,1H3,(H-,17,19,20);1H3,(H,2,3,4)