ethyl-octadecyl-(1-phenylprop-2-enyl)azanium

Systemtic Name: ethyl-octadecyl-(1-phenylprop-2-enyl)azanium Openeye Name: ethyl-octadecyl-(1-phenylallyl)ammonium CAS Name: ethyl-octadecyl-(1-phenylprop-2-enyl)ammonium IUPAC Name: ethyl-octadecyl-(1-phenylprop-2-enyl)azanium Traditional Name: ethyl-(1-phenylallyl)-stearyl-ammonium Formula: C29H52N+ MolecularWeight: 414.72988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](CC)C(C=C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](CC)C(C=C)C1=CC=CC=C1

InChI

InChI=1S/C29H51N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(6-3)29(5-2)28-25-22-21-23-26-28/h5,21-23,25-26,29H,2,4,6-20,24,27H2,1,3H3/p+1