[5-(dimethylamino)-2-oxidanyl-pentyl]-bis[(E)-octadec-9-enoyl]azanium

Systemtic Name: [5-(dimethylamino)-2-oxidanyl-pentyl]-bis[(E)-octadec-9-enoyl]azanium Openeye Name: [5-(dimethylamino)-2-hydroxy-pentyl]-bis[(E)-octadec-9-enoyl]ammonium CAS Name: [5-(dimethylamino)-2-hydroxypentyl]-bis[(E)-1-oxooctadec-9-enyl]ammonium IUPAC Name: [5-(dimethylamino)-2-hydroxypentyl]-bis[(E)-octadec-9-enoyl]azanium Traditional Name: [5-(dimethylamino)-2-hydroxy-pentyl]-bis[(E)-octadec-9-enoyl]ammonium Formula: C43H83N2O3+ MolecularWeight: 676.13072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[NH+](CC(CCCN(C)C)O)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[NH+](C(=O)CCCCCCC/C=C/CCCCCCCC)CC(O)CCCN(C)C

InChI

InChI=1S/C43H82N2O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-42(47)45(40-41(46)36-35-39-44(3)4)43(48)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41,46H,5-18,23-40H2,1-4H3/p+1/b21-19+,22-20+