2-hydroxyethyl-methyl-[17-methyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[17-methyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]azanium Openeye Name: (1-hexadecanoyl-1-methyl-2-oxo-heptadecyl)-(2-hydroxyethyl)-methyl-ammonium CAS Name: 2-hydroxyethyl-methyl-(17-methyl-16,18-dioxotritriacontan-17-yl)ammonium IUPAC Name: 2-hydroxyethyl-methyl-(17-methyl-16,18-dioxotritriacontan-17-yl)azanium Traditional Name: (1-hexadecanoyl-2-keto-1-methyl-heptadecyl)-(2-hydroxyethyl)-methyl-ammonium Formula: C37H74NO3+ MolecularWeight: 580.98836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)[NH+](C)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)[NH+](C)CCO

InChI

InChI=1S/C37H73NO3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)37(3,38(4)33-34-39)36(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39H,5-34H2,1-4H3/p+1