3,4-dihydro-1H-isochromen-1-ylmethyl-[(3,5-dimethoxyphenyl)methyl]azanium chloride

Systemtic Name: 3,4-dihydro-1H-isochromen-1-ylmethyl-[(3,5-dimethoxyphenyl)methyl]azanium chloride Openeye Name: (3,5-dimethoxyphenyl)methyl-(isochroman-1-ylmethyl)ammonium chloride CAS Name: 3,4-dihydro-1H-2-benzopyran-1-ylmethyl-[(3,5-dimethoxyphenyl)methyl]ammonium chloride IUPAC Name: 3,4-dihydro-1H-isochromen-1-ylmethyl-[(3,5-dimethoxyphenyl)methyl]azanium chloride Traditional Name: (3,5-dimethoxybenzyl)-(isochroman-1-ylmethyl)ammonium chloride Formula: C19H24ClNO3 MolecularWeight: 349.85176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH2+]CC2C3=CC=CC=C3CCO2)OC.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH2+]CC2C3=CC=CC=C3CCO2)OC.[Cl-]

InChI

InChI=1S/C19H23NO3.ClH/c1-21-16-9-14(10-17(11-16)22-2)12-20-13-19-18-6-4-3-5-15(18)7-8-23-19;/h3-6,9-11,19-20H,7-8,12-13H2,1-2H3;1H