(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(6,7-dimethoxyisochroman-1-yl)-dimethyl-ammonium chloride CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)-dimethylazanium chloride Traditional Name: benzyl-(6,7-dimethoxyisochroman-1-yl)-dimethyl-ammonium chloride Formula: C20H26ClNO3 MolecularWeight: 363.87834

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=CC=C1)C2C3=CC(=C(C=C3CCO2)OC)OC.[Cl-]

Isomeric SMILES

C[N+](C)(CC1=CC=CC=C1)C2C3=CC(=C(C=C3CCO2)OC)OC.[Cl-]

InChI

InChI=1S/C20H26NO3.ClH/c1-21(2,14-15-8-6-5-7-9-15)20-17-13-19(23-4)18(22-3)12-16(17)10-11-24-20;/h5-9,12-13,20H,10-11,14H2,1-4H3;1H/q+1;/p-1