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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)[NH2+]CC(C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)[NH2+]CC(C)O

InChI

InChI=1S/C37H73NO3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)37(4,38-33-34(3)39)36(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34,38-39H,5-33H2,1-4H3/p+1