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

Systemtic Name: 2-[(1S,4aR,8aR)-1-(3,4-dimethoxyphenyl)-4a-oxidanyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-pentyl-ethanamide Openeye Name: 2-[(1S,4aR,8aR)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-pentyl-acetamide CAS Name: 2-[(1S,4aR,8aR)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-pentylacetamide IUPAC Name: 2-[(1S,4aR,8aR)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-pentylacetamide Traditional Name: 2-[(1S,4aR,8aR)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-amyl-acetamide Formula: C24H39N2O4+ MolecularWeight: 419.57746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C[NH+]1CCC2(CCCCC2C1C3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CCCCCNC(=O)C[NH+]1CC[C@@]2(CCCC[C@@H]2[C@H]1C3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C24H38N2O4/c1-4-5-8-14-25-22(27)17-26-15-13-24(28)12-7-6-9-19(24)23(26)18-10-11-20(29-2)21(16-18)30-3/h10-11,16,19,23,28H,4-9,12-15,17H2,1-3H3,(H,25,27)/p+1/t19-,23-,24-/m1/s1