2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol

Systemtic Name: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol Openeye Name: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol CAS Name: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol IUPAC Name: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol Traditional Name: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol Formula: C16H22NO2+ MolecularWeight: 260.35138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2CCCC=C2C1O)C3=CC(=CC=C3)O

Isomeric SMILES

C[N+]1(CCC2CCCC=C2C1O)C3=CC(=CC=C3)O

InChI

InChI=1S/C16H21NO2/c1-17(13-6-4-7-14(18)11-13)10-9-12-5-2-3-8-15(12)16(17)19/h4,6-8,11-12,16,19H,2-3,5,9-10H2,1H3/p+1