trimethyl-[(2R)-2-[(E)-octadec-9-enoyl]oxy-4-oxidanylidene-4-phenylmethoxy-butyl]azanium

Systemtic Name: trimethyl-[(2R)-2-[(E)-octadec-9-enoyl]oxy-4-oxidanylidene-4-phenylmethoxy-butyl]azanium Openeye Name: [(2R)-4-benzyloxy-2-[(E)-octadec-9-enoyl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: trimethyl-[(2R)-4-oxo-2-[(E)-1-oxooctadec-9-enoxy]-4-phenylmethoxybutyl]ammonium IUPAC Name: trimethyl-[(2R)-2-[(E)-octadec-9-enoyl]oxy-4-oxo-4-phenylmethoxybutyl]azanium Traditional Name: [(2R)-4-benzoxy-4-keto-2-[(E)-octadec-9-enoyl]oxy-butyl]-trimethyl-ammonium Formula: C32H54NO4+ MolecularWeight: 516.77546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(CC(=O)OCC1=CC=CC=C1)C[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CC(=O)OCC1=CC=CC=C1)C[N+](C)(C)C

InChI

InChI=1S/C32H54NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31(34)37-30(27-33(2,3)4)26-32(35)36-28-29-23-20-19-21-24-29/h12-13,19-21,23-24,30H,5-11,14-18,22,25-28H2,1-4H3/q+1/b13-12+/t30-/m1/s1