hexadecyl-dimethyl-(1-phenylprop-2-enyl)azanium

Systemtic Name: hexadecyl-dimethyl-(1-phenylprop-2-enyl)azanium Openeye Name: hexadecyl-dimethyl-(1-phenylallyl)ammonium CAS Name: hexadecyl-dimethyl-(1-phenylprop-2-enyl)ammonium IUPAC Name: hexadecyl-dimethyl-(1-phenylprop-2-enyl)azanium Traditional Name: cetyl-dimethyl-(1-phenylallyl)ammonium Formula: C27H48N+ MolecularWeight: 386.67672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(C=C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(C=C)C1=CC=CC=C1

InChI

InChI=1S/C27H48N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(3,4)27(6-2)26-23-20-19-21-24-26/h6,19-21,23-24,27H,2,5,7-18,22,25H2,1,3-4H3/q+1