dimethyl-octadecyl-[(E)-3-phenylprop-2-enyl]azanium

Systemtic Name: dimethyl-octadecyl-[(E)-3-phenylprop-2-enyl]azanium Openeye Name: [(E)-cinnamyl]-dimethyl-octadecyl-ammonium CAS Name: dimethyl-octadecyl-[(E)-3-phenylprop-2-enyl]ammonium IUPAC Name: dimethyl-octadecyl-[(E)-3-phenylprop-2-enyl]azanium Traditional Name: [(E)-cinnamyl]-dimethyl-stearyl-ammonium Formula: C29H52N+ MolecularWeight: 414.72988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC=CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C/C=C/C1=CC=CC=C1

InChI

InChI=1S/C29H52N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-30(2,3)28-23-26-29-24-20-19-21-25-29/h19-21,23-26H,4-18,22,27-28H2,1-3H3/q+1/b26-23+