[4-(3-acetyloxyhexadecoxy)-1-sulfonyl-heptyl]-trimethyl-azanium chloride

Systemtic Name: [4-(3-acetyloxyhexadecoxy)-1-sulfonyl-heptyl]-trimethyl-azanium chloride Openeye Name: [4-(3-acetoxyhexadecoxy)-1-sulfonyl-heptyl]-trimethyl-ammonium chloride CAS Name: [4-(3-acetyloxyhexadecoxy)-1-sulfonylheptyl]-trimethylammonium chloride IUPAC Name: [4-(3-acetyloxyhexadecoxy)-1-sulfonylheptyl]-trimethylazanium chloride Traditional Name: [4-(3-acetoxyhexadecoxy)-1-sulfonyl-heptyl]-trimethyl-ammonium chloride Formula: C28H56ClNO5S MolecularWeight: 554.26594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCOC(CCC)CCC(=S(=O)=O)[N+](C)(C)C)OC(=O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(CCOC(CCC)CCC(=S(=O)=O)[N+](C)(C)C)OC(=O)C.[Cl-]

InChI

InChI=1S/C28H56NO5S.ClH/c1-7-9-10-11-12-13-14-15-16-17-18-20-27(34-25(3)30)23-24-33-26(19-8-2)21-22-28(35(31)32)29(4,5)6;/h26-27H,7-24H2,1-6H3;1H/q+1;/p-1