[4-[3-hexadecoxy-2-(1,2-oxazol-3-yloxy)propoxy]-4-oxidanylidene-butyl]-trimethyl-azanium bromide

Systemtic Name: [4-[3-hexadecoxy-2-(1,2-oxazol-3-yloxy)propoxy]-4-oxidanylidene-butyl]-trimethyl-azanium bromide Openeye Name: [4-(3-hexadecoxy-2-isoxazol-3-yloxy-propoxy)-4-oxo-butyl]-trimethyl-ammonium bromide CAS Name: [4-[3-hexadecoxy-2-(3-isoxazolyloxy)propoxy]-4-oxobutyl]-trimethylammonium bromide IUPAC Name: [4-[3-hexadecoxy-2-(1,2-oxazol-3-yloxy)propoxy]-4-oxobutyl]-trimethylazanium bromide Traditional Name: [4-(3-cetyloxy-2-isoxazol-3-yloxy-propoxy)-4-keto-butyl]-trimethyl-ammonium bromide Formula: C29H55BrN2O5 MolecularWeight: 591.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)CCC[N+](C)(C)C)OC1=NOC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)CCC[N+](C)(C)C)OC1=NOC=C1.[Br-]

InChI

InChI=1S/C29H55N2O5.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-25-27(36-28-21-24-35-30-28)26-34-29(32)20-19-22-31(2,3)4;/h21,24,27H,5-20,22-23,25-26H2,1-4H3;1H/q+1;/p-1