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N-[1-(dimethylamino)propyl]octadecanamide; docosanoate

N-[1-(dimethylamino)propyl]octadecanamide; docosanoate

Systemtic Name:N-[1-(dimethylamino)propyl]octadecanamide; docosanoate
Openeye Name:N-[1-(dimethylamino)propyl]octadecanamide; docosanoate
CAS Name:N-[1-(dimethylamino)propyl]octadecanamide; docosanoate
IUPAC Name:N-[1-(dimethylamino)propyl]octadecanamide; docosanoate
Traditional Name:behenate; N-[1-(dimethylamino)propyl]stearamide
Formula: C45H91N2O3-
MolecularWeight: 708.21564
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NC(CC)N(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NC(CC)N(C)C


InChI

InChI=1S/C23H48N2O.C22H44O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-22(6-2)25(3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h22H,5-21H2,1-4H3,(H,24,26);2-21H2,1H3,(H,23,24)/p-1


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