1-(4,4-dimethylpiperazin-4-ium-1-yl)hexadecan-1-one; methyl sulfate

Systemtic Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)hexadecan-1-one; methyl sulfate Openeye Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)hexadecan-1-one; methyl sulfate CAS Name: 1-(4,4-dimethyl-1-piperazin-4-iumyl)-1-hexadecanone; methyl sulfate IUPAC Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)hexadecan-1-one; methyl sulfate Traditional Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)hexadecan-1-one; methyl sulfate Formula: C23H48N2O5S MolecularWeight: 464.70262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H45N2O.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-24(2,3)21-19-23;1-5-6(2,3)4/h4-21H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1