3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-2-imidazolin-1-ium-1-yl]-2-hydroxy-propane-1-sulfonate Formula: C25H48N2O5S MolecularWeight: 488.72402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(CCO)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1=NCC[N+]1(CCO)CC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C25H48N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-26-18-19-27(25,20-21-28)22-24(29)23-33(30,31)32/h9-10,24,28-29H,2-8,11-23H2,1H3/b10-9+