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

Systemtic Name: 2-[(1S,4aR,8aS)-1-(2,5-dimethoxyphenyl)-4a-oxidanyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(1S,4aR,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(1S,4aR,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(1S,4aR,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(1S,4aR,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-pyrrolidino-ethanone Formula: C23H35N2O4+ MolecularWeight: 403.535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C3CCCCC3(CC[NH+]2CC(=O)N4CCCC4)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@@H]2[C@@H]3CCCC[C@]3(CC[NH+]2CC(=O)N4CCCC4)O

InChI

InChI=1S/C23H34N2O4/c1-28-17-8-9-20(29-2)18(15-17)22-19-7-3-4-10-23(19,27)11-14-25(22)16-21(26)24-12-5-6-13-24/h8-9,15,19,22,27H,3-7,10-14,16H2,1-2H3/p+1/t19-,22+,23+/m0/s1