3-[2-[dimethyl(octadecyl)azaniumyl]ethyl-ethanoyl-amino]propane-1-sulfonate

Systemtic Name: 3-[2-[dimethyl(octadecyl)azaniumyl]ethyl-ethanoyl-amino]propane-1-sulfonate Openeye Name: 3-[acetyl-[2-[dimethyl(octadecyl)ammonio]ethyl]amino]propane-1-sulfonate CAS Name: 3-[acetyl-[2-[dimethyl(octadecyl)ammonio]ethyl]amino]-1-propanesulfonate IUPAC Name: 3-[acetyl-[2-[dimethyl(octadecyl)azaniumyl]ethyl]amino]propane-1-sulfonate Traditional Name: 3-[acetyl-[2-[dimethyl(stearyl)ammonio]ethyl]amino]propane-1-sulfonate Formula: C27H56N2O4S MolecularWeight: 504.80954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(3,4)25-23-28(27(2)30)22-21-26-34(31,32)33/h5-26H2,1-4H3