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

Systemtic Name: 3-[3-[dimethyl(octadecyl)azaniumyl]propyl-ethanoyl-amino]propane-1-sulfonate Openeye Name: 3-[acetyl-[3-[dimethyl(octadecyl)ammonio]propyl]amino]propane-1-sulfonate CAS Name: 3-[acetyl-[3-[dimethyl(octadecyl)ammonio]propyl]amino]-1-propanesulfonate IUPAC Name: 3-[acetyl-[3-[dimethyl(octadecyl)azaniumyl]propyl]amino]propane-1-sulfonate Traditional Name: 3-[acetyl-[3-[dimethyl(stearyl)ammonio]propyl]amino]propane-1-sulfonate Formula: C28H58N2O4S MolecularWeight: 518.83612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H58N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(3,4)26-21-23-29(28(2)31)24-22-27-35(32,33)34/h5-27H2,1-4H3