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

Systemtic Name: 2-[(1S,4aR,8aS)-1-(3,4-dimethoxyphenyl)-4a-oxidanyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(1S,4aR,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[(1S,4aR,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(1S,4aR,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[(1S,4aR,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-1-piperidino-ethanone Formula: C24H37N2O4+ MolecularWeight: 417.56158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3CCCCC3(CC[NH+]2CC(=O)N4CCCCC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@@H]3CCCC[C@]3(CC[NH+]2CC(=O)N4CCCCC4)O)OC

InChI

InChI=1S/C24H36N2O4/c1-29-20-10-9-18(16-21(20)30-2)23-19-8-4-5-11-24(19,28)12-15-26(23)17-22(27)25-13-6-3-7-14-25/h9-10,16,19,23,28H,3-8,11-15,17H2,1-2H3/p+1/t19-,23+,24+/m0/s1