2-[(1S,4aR,8aS)-1-(2,4-dimethoxyphenyl)-4a-oxidanyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[(1S,4aR,8aS)-1-(2,4-dimethoxyphenyl)-4a-oxidanyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-phenyl-ethanamide Openeye Name: 2-[(1S,4aR,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-phenyl-acetamide CAS Name: 2-[(1S,4aR,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-phenylacetamide IUPAC Name: 2-[(1S,4aR,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-phenylacetamide Traditional Name: 2-[(1S,4aR,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-phenyl-acetamide Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C3CCCCC3(CC[NH+]2CC(=O)NC4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@H]2[C@@H]3CCCC[C@]3(CC[NH+]2CC(=O)NC4=CC=CC=C4)O)OC

InChI

InChI=1S/C25H32N2O4/c1-30-19-11-12-20(22(16-19)31-2)24-21-10-6-7-13-25(21,29)14-15-27(24)17-23(28)26-18-8-4-3-5-9-18/h3-5,8-9,11-12,16,21,24,29H,6-7,10,13-15,17H2,1-2H3,(H,26,28)/p+1/t21-,24+,25+/m0/s1