[(2R)-4-heptoxy-4-oxidanylidene-2-(3-phenoxypropanoyloxy)butyl]-trimethyl-azanium chloride

Systemtic Name: [(2R)-4-heptoxy-4-oxidanylidene-2-(3-phenoxypropanoyloxy)butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-4-heptoxy-4-oxo-2-(3-phenoxypropanoyloxy)butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-4-heptoxy-4-oxo-2-(1-oxo-3-phenoxypropoxy)butyl]-trimethylammonium chloride IUPAC Name: [(2R)-4-heptoxy-4-oxo-2-(3-phenoxypropanoyloxy)butyl]-trimethylazanium chloride Traditional Name: [(2R)-4-heptoxy-4-keto-2-(3-phenoxypropanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C23H38ClNO5 MolecularWeight: 444.00452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCOC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCOC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C23H38NO5.ClH/c1-5-6-7-8-12-16-28-23(26)18-21(19-24(2,3)4)29-22(25)15-17-27-20-13-10-9-11-14-20;/h9-11,13-14,21H,5-8,12,15-19H2,1-4H3;1H/q+1;/p-1/t21-;/m1./s1