dimethyl-octadecyl-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: dimethyl-octadecyl-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: dimethyl-octadecyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate CAS Name: dimethyl-octadecyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: dimethyl-octadecyl-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: dimethyl-stearyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate Formula: C28H61N2O5S+ MolecularWeight: 537.85934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C23H49NO3S.C5H11NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27;1-6(2,3)4-5(7)8/h4-23H2,1-3H3;4H2,1-3H3/p+1