dimethyl-[3-(octadecanoylamino)propyl]-[(Z)-octadec-9-enoyl]azanium chloride

Systemtic Name: dimethyl-[3-(octadecanoylamino)propyl]-[(Z)-octadec-9-enoyl]azanium chloride Openeye Name: dimethyl-[3-(octadecanoylamino)propyl]-[(Z)-octadec-9-enoyl]ammonium chloride CAS Name: dimethyl-[(Z)-1-oxooctadec-9-enyl]-[3-(1-oxooctadecylamino)propyl]ammonium chloride IUPAC Name: dimethyl-[3-(octadecanoylamino)propyl]-[(Z)-octadec-9-enoyl]azanium chloride Traditional Name: dimethyl-[(Z)-octadec-9-enoyl]-(3-stearamidopropyl)ammonium chloride Formula: C41H81ClN2O2 MolecularWeight: 669.54704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C(=O)CCCCCCC/C=C\CCCCCCCC.[Cl-]

InChI

InChI=1S/C41H80N2O2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40(44)42-38-35-39-43(3,4)41(45)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h20,22H,5-19,21,23-39H2,1-4H3;1H/b22-20-;