1-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol

Systemtic Name: 1-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol Openeye Name: 1-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol CAS Name: 1-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol IUPAC Name: 1-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol Traditional Name: 1-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)O)O)OC)C

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)O)O)OC)C

InChI

InChI=1S/C20H25NO3/c1-21(2)11-10-15-12-20(24-3)19(23)13-17(15)18(21)9-6-14-4-7-16(22)8-5-14/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3,(H-,22,23)/p+1