methyl-dioctadecyl-[(E)-3-phenylprop-2-enyl]azanium

Systemtic Name: methyl-dioctadecyl-[(E)-3-phenylprop-2-enyl]azanium Openeye Name: [(E)-cinnamyl]-methyl-dioctadecyl-ammonium CAS Name: methyl-dioctadecyl-[(E)-3-phenylprop-2-enyl]ammonium IUPAC Name: methyl-dioctadecyl-[(E)-3-phenylprop-2-enyl]azanium Traditional Name: [(E)-cinnamyl]-methyl-distearyl-ammonium Formula: C46H86N+ MolecularWeight: 653.18174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H86N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-43-47(3,45-39-42-46-40-35-34-36-41-46)44-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-36,39-42H,4-33,37-38,43-45H2,1-3H3/q+1/b42-39+