[(9E,29E)-20-(dimethylaminomethyl)octatriaconta-9,29-dien-19-yl]-(2-hydroxyethyl)azanium

Systemtic Name: [(9E,29E)-20-(dimethylaminomethyl)octatriaconta-9,29-dien-19-yl]-(2-hydroxyethyl)azanium Openeye Name: [(E)-2-(dimethylaminomethyl)-1-[(E)-octadec-9-enyl]icos-11-enyl]-(2-hydroxyethyl)ammonium CAS Name: [(9E,29E)-20-(dimethylaminomethyl)octatriaconta-9,29-dien-19-yl]-(2-hydroxyethyl)ammonium IUPAC Name: [(9E,29E)-20-(dimethylaminomethyl)octatriaconta-9,29-dien-19-yl]-(2-hydroxyethyl)azanium Traditional Name: [(E)-2-(dimethylaminomethyl)-1-[(E)-octadec-9-enyl]eicos-11-enyl]-(2-hydroxyethyl)ammonium Formula: C43H87N2O+ MolecularWeight: 648.16368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CN(C)C)C(CCCCCCCCC=CCCCCCCCC)[NH2+]CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CN(C)C)C(CCCCCCCC/C=C/CCCCCCCC)[NH2+]CCO

InChI

InChI=1S/C43H86N2O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(41-45(3)4)43(44-39-40-46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,42-44,46H,5-18,23-41H2,1-4H3/p+1/b21-19+,22-20+