1-azanylbutyl-bis[(E)-octadec-9-enoyl]-(2-oxidanylpropyl)azanium ethanoate

Systemtic Name: 1-azanylbutyl-bis[(E)-octadec-9-enoyl]-(2-oxidanylpropyl)azanium ethanoate Openeye Name: 1-aminobutyl-(2-hydroxypropyl)-bis[(E)-octadec-9-enoyl]ammonium acetate CAS Name: 1-aminobutyl-(2-hydroxypropyl)-bis[(E)-1-oxooctadec-9-enyl]ammonium acetate IUPAC Name: 1-aminobutyl-(2-hydroxypropyl)-bis[(E)-octadec-9-enoyl]azanium acetate Traditional Name: 1-aminobutyl-(2-hydroxypropyl)-bis[(E)-octadec-9-enoyl]ammonium acetate Formula: C45H86N2O5 MolecularWeight: 735.17474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[N+](CC(C)O)(C(CCC)N)C(=O)CCCCCCCC=CCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[N+](C(=O)CCCCCCC/C=C/CCCCCCCC)(C(N)CCC)CC(O)C.CC(=O)[O-]

InChI

InChI=1S/C43H83N2O3.C2H4O2/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-42(47)45(39-40(4)46,41(44)36-7-3)43(48)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;1-2(3)4/h20-23,40-41,46H,5-19,24-39,44H2,1-4H3;1H3,(H,3,4)/q+1;/p-1/b22-20+,23-21+;