3-[dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[dimethyl-[3-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonio]-2-hydroxy-propane-1-sulfonate Formula: C26H52N2O5S MolecularWeight: 504.76648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C26H52N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34(31,32)33/h11-12,25,29H,4-10,13-24H2,1-3H3,(H-,27,30,31,32,33)/b12-11-