3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)propan-1-one

Systemtic Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)propan-1-one Openeye Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)propan-1-one CAS Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)-1-propanone IUPAC Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)propan-1-one Traditional Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)propan-1-one Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H25NO4/c1-24-18-6-4-15(5-7-18)19(23)9-11-22-10-8-16-12-20(25-2)21(26-3)13-17(16)14-22/h4-7,12-13H,8-11,14H2,1-3H3/p+1