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

Systemtic Name: [2-oxidanyl-3-[4-(propylamino)phenyl]carbonyloxy-propyl]-propyl-azanium chloride Openeye Name: [2-hydroxy-3-[4-(propylamino)benzoyl]oxy-propyl]-propyl-ammonium chloride CAS Name: [2-hydroxy-3-[oxo-[4-(propylamino)phenyl]methoxy]propyl]-propylammonium chloride IUPAC Name: [2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-propylazanium chloride Traditional Name: [2-hydroxy-3-[4-(propylamino)benzoyl]oxy-propyl]-propyl-ammonium chloride Formula: C16H27ClN2O3 MolecularWeight: 330.85018

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(COC(=O)C1=CC=C(C=C1)NCCC)O.[Cl-]

Isomeric SMILES

CCC[NH2+]CC(COC(=O)C1=CC=C(C=C1)NCCC)O.[Cl-]

InChI

InChI=1S/C16H26N2O3.ClH/c1-3-9-17-11-15(19)12-21-16(20)13-5-7-14(8-6-13)18-10-4-2;/h5-8,15,17-19H,3-4,9-12H2,1-2H3;1H