dimethyl-[2-oxidanyl-3-[4-(propylamino)phenyl]carbonyloxy-propyl]azanium chloride

Systemtic Name: dimethyl-[2-oxidanyl-3-[4-(propylamino)phenyl]carbonyloxy-propyl]azanium chloride Openeye Name: [2-hydroxy-3-[4-(propylamino)benzoyl]oxy-propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[oxo-[4-(propylamino)phenyl]methoxy]propyl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-dimethylazanium chloride Traditional Name: [2-hydroxy-3-[4-(propylamino)benzoyl]oxy-propyl]-dimethyl-ammonium chloride Formula: C15H25ClN2O3 MolecularWeight: 316.8236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+](C)C)O.[Cl-]

Isomeric SMILES

CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+](C)C)O.[Cl-]

InChI

InChI=1S/C15H24N2O3.ClH/c1-4-9-16-13-7-5-12(6-8-13)15(19)20-11-14(18)10-17(2)3;/h5-8,14,16,18H,4,9-11H2,1-3H3;1H