2-[[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethyl-azanium

Systemtic Name: 2-[[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethyl-azanium Openeye Name: 2-[[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethyl-ammonium CAS Name: 2-[[(E)-3-(3,4-didodecoxyphenyl)-1-oxoprop-2-enyl]amino]ethyl-(2-hydroxyethyl)-dimethylammonium IUPAC Name: 2-[[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium Traditional Name: 2-[[(E)-3-(3,4-dilauryloxyphenyl)acryloyl]amino]ethyl-(2-hydroxyethyl)-dimethyl-ammonium Formula: C39H71N2O4+ MolecularWeight: 631.99204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)NCC[N+](C)(C)CCO)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NCC[N+](C)(C)CCO)OCCCCCCCCCCCC

InChI

InChI=1S/C39H70N2O4/c1-5-7-9-11-13-15-17-19-21-23-33-44-37-27-25-36(26-28-39(43)40-29-30-41(3,4)31-32-42)35-38(37)45-34-24-22-20-18-16-14-12-10-8-6-2/h25-28,35,42H,5-24,29-34H2,1-4H3/p+1/b28-26+