dimethyl-octyl-[4-oxidanylidene-4-(4-sulfophenoxy)butyl]azanium

Systemtic Name: dimethyl-octyl-[4-oxidanylidene-4-(4-sulfophenoxy)butyl]azanium Openeye Name: dimethyl-octyl-[4-oxo-4-(4-sulfophenoxy)butyl]ammonium CAS Name: dimethyl-octyl-[4-oxo-4-(4-sulfophenoxy)butyl]ammonium IUPAC Name: dimethyl-octyl-[4-oxo-4-(4-sulfophenoxy)butyl]azanium Traditional Name: [4-keto-4-(4-sulfophenoxy)butyl]-dimethyl-octyl-ammonium Formula: C20H34NO5S+ MolecularWeight: 400.55266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC[N+](C)(C)CCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H33NO5S/c1-4-5-6-7-8-9-16-21(2,3)17-10-11-20(22)26-18-12-14-19(15-13-18)27(23,24)25/h12-15H,4-11,16-17H2,1-3H3/p+1