6,7-dimethoxy-3,3-dimethyl-2-(phenylmethyl)-1,2-dihydroisoquinolin-2-ium-4-one

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-2-(phenylmethyl)-1,2-dihydroisoquinolin-2-ium-4-one Openeye Name: 2-benzyl-6,7-dimethoxy-3,3-dimethyl-1,2-dihydroisoquinolin-2-ium-4-one CAS Name: 6,7-dimethoxy-3,3-dimethyl-2-(phenylmethyl)-1,2-dihydroisoquinolin-2-ium-4-one IUPAC Name: 2-benzyl-6,7-dimethoxy-3,3-dimethyl-1,2-dihydroisoquinolin-2-ium-4-one Traditional Name: 2-benzyl-6,7-dimethoxy-3,3-dimethyl-1,2-dihydroisoquinolin-2-ium-4-one Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CC(=C(C=C2C[NH+]1CC3=CC=CC=C3)OC)OC)C

Isomeric SMILES

CC1(C(=O)C2=CC(=C(C=C2C[NH+]1CC3=CC=CC=C3)OC)OC)C

InChI

InChI=1S/C20H23NO3/c1-20(2)19(22)16-11-18(24-4)17(23-3)10-15(16)13-21(20)12-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3/p+1