[18-(dimethylaminomethyl)-16,19-bis(oxidanylidene)tetratriacontan-17-yl]-(2-hydroxyethyl)azanium

Systemtic Name: [18-(dimethylaminomethyl)-16,19-bis(oxidanylidene)tetratriacontan-17-yl]-(2-hydroxyethyl)azanium Openeye Name: [2-(dimethylaminomethyl)-1-hexadecanoyl-3-oxo-octadecyl]-(2-hydroxyethyl)ammonium CAS Name: [18-(dimethylaminomethyl)-16,19-dioxotetratriacontan-17-yl]-(2-hydroxyethyl)ammonium IUPAC Name: [18-(dimethylaminomethyl)-16,19-dioxotetratriacontan-17-yl]-(2-hydroxyethyl)azanium Traditional Name: [2-(dimethylaminomethyl)-1-hexadecanoyl-3-keto-octadecyl]-(2-hydroxyethyl)ammonium Formula: C39H79N2O3+ MolecularWeight: 624.05616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CN(C)C)C(C(=O)CCCCCCCCCCCCCCC)[NH2+]CCO

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CN(C)C)C(C(=O)CCCCCCCCCCCCCCC)[NH2+]CCO

InChI

InChI=1S/C39H78N2O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(43)36(35-41(3)4)39(40-33-34-42)38(44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h36,39-40,42H,5-35H2,1-4H3/p+1