6,7-dimethoxy-1-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-1-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-1-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C18H22ClNO2 MolecularWeight: 319.82578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC=CC=C3)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC=CC=C3)OC.[Cl-]

InChI

InChI=1S/C18H21NO2.ClH/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13;/h3-7,11-12,16,19H,8-10H2,1-2H3;1H