trimethyl-[(2S)-4-oxidanylidene-2-tetradecanoyloxy-4-tetradecoxy-butyl]azanium iodide

Systemtic Name: trimethyl-[(2S)-4-oxidanylidene-2-tetradecanoyloxy-4-tetradecoxy-butyl]azanium iodide Openeye Name: trimethyl-[(2S)-4-oxo-2-tetradecanoyloxy-4-tetradecoxy-butyl]ammonium iodide CAS Name: trimethyl-[(2S)-4-oxo-2-(1-oxotetradecoxy)-4-tetradecoxybutyl]ammonium iodide IUPAC Name: trimethyl-[(2S)-4-oxo-2-tetradecanoyloxy-4-tetradecoxybutyl]azanium iodide Traditional Name: [(2S)-4-keto-4-myristyloxy-2-tetradecanoyloxy-butyl]-trimethyl-ammonium iodide Formula: C35H70INO4 MolecularWeight: 695.83907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C[C@@H](C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC.[I-]

InChI

InChI=1S/C35H70NO4.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-39-35(38)31-33(32-36(3,4)5)40-34(37)29-27-25-23-21-19-17-15-13-11-9-7-2;/h33H,6-32H2,1-5H3;1H/q+1;/p-1/t33-;/m0./s1