1-[[2-chloranyl-4,5-bis(oxidanyl)phenyl]methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one

Systemtic Name: 1-[[2-chloranyl-4,5-bis(oxidanyl)phenyl]methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one Openeye Name: 1-[(2-chloro-4,5-dihydroxy-phenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one CAS Name: 1-[(2-chloro-4,5-dihydroxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one IUPAC Name: 1-[(2-chloro-4,5-dihydroxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one Traditional Name: 1-(2-chloro-4,5-dihydroxy-benzyl)-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C=C2C1C(NCC2)CC3=CC(=C(C=C3Cl)O)O

Isomeric SMILES

C1CC(=O)C=C2C1C(NCC2)CC3=CC(=C(C=C3Cl)O)O

InChI

InChI=1S/C16H18ClNO3/c17-13-8-16(21)15(20)7-10(13)6-14-12-2-1-11(19)5-9(12)3-4-18-14/h5,7-8,12,14,18,20-21H,1-4,6H2