1-[2-(3-hydroxyphenyl)ethyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-2-ium-6-one

Systemtic Name: 1-[2-(3-hydroxyphenyl)ethyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-2-ium-6-one Openeye Name: 1-[2-(3-hydroxyphenyl)ethyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-2-ium-6-one CAS Name: 1-[2-(3-hydroxyphenyl)ethyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-2-ium-6-one IUPAC Name: 1-[2-(3-hydroxyphenyl)ethyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-2-ium-6-one Traditional Name: 1-[2-(3-hydroxyphenyl)ethyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-2-ium-6-one Formula: C17H22NO2+ MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C=C2C1C([NH2+]CC2)CCC3=CC(=CC=C3)O

Isomeric SMILES

C1CC(=O)C=C2C1C([NH2+]CC2)CCC3=CC(=CC=C3)O

InChI

InChI=1S/C17H21NO2/c19-14-3-1-2-12(10-14)4-7-17-16-6-5-15(20)11-13(16)8-9-18-17/h1-3,10-11,16-19H,4-9H2/p+1