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

Systemtic Name: [(2R)-4-heptoxy-4-oxidanylidene-2-(3-phenoxypropanoyloxy)butyl]-trimethyl-azanium Openeye Name: [(2R)-4-heptoxy-4-oxo-2-(3-phenoxypropanoyloxy)butyl]-trimethyl-ammonium CAS Name: [(2R)-4-heptoxy-4-oxo-2-(1-oxo-3-phenoxypropoxy)butyl]-trimethylammonium IUPAC Name: [(2R)-4-heptoxy-4-oxo-2-(3-phenoxypropanoyloxy)butyl]-trimethylazanium Traditional Name: [(2R)-4-heptoxy-4-keto-2-(3-phenoxypropanoyloxy)butyl]-trimethyl-ammonium Formula: C23H38NO5+ MolecularWeight: 408.55152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38NO5/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/q+1/t21-/m1/s1