trimethyl-[(2R)-2-octanoyloxy-4-oxidanylidene-4-phenylmethoxy-butyl]azanium

Systemtic Name: trimethyl-[(2R)-2-octanoyloxy-4-oxidanylidene-4-phenylmethoxy-butyl]azanium Openeye Name: [(2R)-4-benzyloxy-2-octanoyloxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: trimethyl-[(2R)-4-oxo-2-(1-oxooctoxy)-4-phenylmethoxybutyl]ammonium IUPAC Name: trimethyl-[(2R)-2-octanoyloxy-4-oxo-4-phenylmethoxybutyl]azanium Traditional Name: [(2R)-4-benzoxy-2-caprylyloxy-4-keto-butyl]-trimethyl-ammonium Formula: C22H36NO4+ MolecularWeight: 378.52554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36NO4/c1-5-6-7-8-12-15-21(24)27-20(17-23(2,3)4)16-22(25)26-18-19-13-10-9-11-14-19/h9-11,13-14,20H,5-8,12,15-18H2,1-4H3/q+1/t20-/m1/s1