3,4-dihydro-1H-isochromen-1-ylmethyl-(2-oxidanyl-3-phenoxy-propyl)azanium chloride

Systemtic Name: 3,4-dihydro-1H-isochromen-1-ylmethyl-(2-oxidanyl-3-phenoxy-propyl)azanium chloride Openeye Name: (2-hydroxy-3-phenoxy-propyl)-(isochroman-1-ylmethyl)ammonium chloride CAS Name: 3,4-dihydro-1H-2-benzopyran-1-ylmethyl-(2-hydroxy-3-phenoxypropyl)ammonium chloride IUPAC Name: 3,4-dihydro-1H-isochromen-1-ylmethyl-(2-hydroxy-3-phenoxypropyl)azanium chloride Traditional Name: (2-hydroxy-3-phenoxy-propyl)-(isochroman-1-ylmethyl)ammonium chloride Formula: C19H24ClNO3 MolecularWeight: 349.85176

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C[NH2+]CC(COC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1COC(C2=CC=CC=C21)C[NH2+]CC(COC3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C19H23NO3.ClH/c21-16(14-23-17-7-2-1-3-8-17)12-20-13-19-18-9-5-4-6-15(18)10-11-22-19;/h1-9,16,19-21H,10-14H2;1H