[(E)-3-chloranylprop-2-enyl]-di(tridecan-2-yl)azanium chloride

Systemtic Name: [(E)-3-chloranylprop-2-enyl]-di(tridecan-2-yl)azanium chloride Openeye Name: [(E)-3-chloroallyl]-bis(1-methyldodecyl)ammonium chloride CAS Name: [(E)-3-chloroprop-2-enyl]-di(tridecan-2-yl)ammonium chloride IUPAC Name: [(E)-3-chloroprop-2-enyl]-di(tridecan-2-yl)azanium chloride Traditional Name: [(E)-3-chloroallyl]-bis(1-methyldodecyl)ammonium chloride Formula: C29H59Cl2N MolecularWeight: 492.69146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)[NH+](CC=CCl)C(C)CCCCCCCCCCC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C29H58ClN.ClH/c1-5-7-9-11-13-15-17-19-21-24-28(3)31(27-23-26-30)29(4)25-22-20-18-16-14-12-10-8-6-2;/h23,26,28-29H,5-22,24-25,27H2,1-4H3;1H/b26-23+;