methyl-bis[(E)-1-oxidanyltetracos-15-en-3-yl]azanium chloride

Systemtic Name: methyl-bis[(E)-1-oxidanyltetracos-15-en-3-yl]azanium chloride Openeye Name: bis[(E)-1-(2-hydroxyethyl)docos-13-enyl]-methyl-ammonium chloride CAS Name: bis[(E)-1-hydroxytetracos-15-en-3-yl]-methylammonium chloride IUPAC Name: bis[(E)-1-hydroxytetracos-15-en-3-yl]-methylazanium chloride Traditional Name: bis[(E)-1-(2-hydroxyethyl)docos-13-enyl]-methyl-ammonium chloride Formula: C49H98ClNO2 MolecularWeight: 768.76092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(CCO)[NH+](C)C(CCCCCCCCCCCC=CCCCCCCCC)CCO.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC([NH+](C(CCO)CCCCCCCCCCC/C=C/CCCCCCCC)C)CCO.[Cl-]

InChI

InChI=1S/C49H97NO2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-48(44-46-51)50(3)49(45-47-52)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21,48-49,51-52H,4-17,22-47H2,1-3H3;1H/b20-18+,21-19+;