1-(4,4-dimethylpiperazin-4-ium-1-yl)octadec-9-en-1-one; methyl sulfate

Systemtic Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)octadec-9-en-1-one; methyl sulfate Openeye Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)octadec-9-en-1-one; methyl sulfate CAS Name: 1-(4,4-dimethyl-1-piperazin-4-iumyl)-9-octadecen-1-one; methyl sulfate IUPAC Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)octadec-9-en-1-one; methyl sulfate Traditional Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)octadec-9-en-1-one; methyl sulfate Formula: C25H50N2O5S MolecularWeight: 490.7399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H47N2O.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)25-20-22-26(2,3)23-21-25;1-5-6(2,3)4/h11-12H,4-10,13-23H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1