ethyl-[18-hexadecoxy-2-methyl-1-oxidanyl-1,18-bis(oxidanylidene)octadecan-2-yl]-dimethyl-azanium

Systemtic Name: ethyl-[18-hexadecoxy-2-methyl-1-oxidanyl-1,18-bis(oxidanylidene)octadecan-2-yl]-dimethyl-azanium Openeye Name: (1-carboxy-17-hexadecoxy-1-methyl-17-oxo-heptadecyl)-ethyl-dimethyl-ammonium CAS Name: ethyl-(18-hexadecoxy-1-hydroxy-2-methyl-1,18-dioxooctadecan-2-yl)-dimethylammonium IUPAC Name: ethyl-(18-hexadecoxy-1-hydroxy-2-methyl-1,18-dioxooctadecan-2-yl)-dimethylazanium Traditional Name: (1-carboxy-17-cetyloxy-17-keto-1-methyl-heptadecyl)-ethyl-dimethyl-ammonium Formula: C39H78NO4+ MolecularWeight: 625.04092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC(C)(C(=O)O)[N+](C)(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC(C)(C(=O)O)[N+](C)(C)CC

InChI

InChI=1S/C39H77NO4/c1-6-8-9-10-11-12-13-14-18-21-24-27-30-33-36-44-37(41)34-31-28-25-22-19-16-15-17-20-23-26-29-32-35-39(3,38(42)43)40(4,5)7-2/h6-36H2,1-5H3/p+1