dimethyl-[17-methyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]azanium chloride

Systemtic Name: dimethyl-[17-methyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]azanium chloride Openeye Name: (1-hexadecanoyl-1-methyl-2-oxo-heptadecyl)-dimethyl-ammonium chloride CAS Name: dimethyl-(17-methyl-16,18-dioxotritriacontan-17-yl)ammonium chloride IUPAC Name: dimethyl-(17-methyl-16,18-dioxotritriacontan-17-yl)azanium chloride Traditional Name: (1-hexadecanoyl-2-keto-1-methyl-heptadecyl)-dimethyl-ammonium chloride Formula: C36H72ClNO2 MolecularWeight: 586.41538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)[NH+](C)C.[Cl-]

InChI

InChI=1S/C36H71NO2.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(38)36(3,37(4)5)35(39)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h6-33H2,1-5H3;1H