2-[dodecyl-(2-hydroxyethyl)-(1-phenylprop-2-enyl)azaniumyl]ethanoate

Systemtic Name: 2-[dodecyl-(2-hydroxyethyl)-(1-phenylprop-2-enyl)azaniumyl]ethanoate Openeye Name: 2-[dodecyl-(2-hydroxyethyl)-(1-phenylallyl)ammonio]acetate CAS Name: 2-[dodecyl-(2-hydroxyethyl)-(1-phenylprop-2-enyl)ammonio]acetate IUPAC Name: 2-[dodecyl-(2-hydroxyethyl)-(1-phenylprop-2-enyl)azaniumyl]acetate Traditional Name: 2-[2-hydroxyethyl-lauryl-(1-phenylallyl)ammonio]acetate Formula: C25H41NO3 MolecularWeight: 403.59794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCO)(CC(=O)[O-])C(C=C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC[N+](CCO)(CC(=O)[O-])C(C=C)C1=CC=CC=C1

InChI

InChI=1S/C25H41NO3/c1-3-5-6-7-8-9-10-11-12-16-19-26(20-21-27,22-25(28)29)24(4-2)23-17-14-13-15-18-23/h4,13-15,17-18,24,27H,2-3,5-12,16,19-22H2,1H3