1-hexadecyl-1-methyl-piperidin-1-ium; methyl sulfate

Systemtic Name: 1-hexadecyl-1-methyl-piperidin-1-ium; methyl sulfate Openeye Name: 1-hexadecyl-1-methyl-piperidin-1-ium; methyl sulfate CAS Name: 1-hexadecyl-1-methylpiperidin-1-ium; methyl sulfate IUPAC Name: 1-hexadecyl-1-methylpiperidin-1-ium; methyl sulfate Traditional Name: 1-cetyl-1-methyl-piperidin-1-ium; methyl sulfate Formula: C23H49NO4S MolecularWeight: 435.70446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCCCC1)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCCCC1)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H46N.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)21-18-16-19-22-23;1-5-6(2,3)4/h3-22H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1