2-[(1R,4aS,8aS)-1-(3-ethoxy-4-oxidanyl-phenyl)-4a-oxidanyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[(1R,4aS,8aS)-1-(3-ethoxy-4-oxidanyl-phenyl)-4a-oxidanyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[(1R,4aS,8aS)-1-(3-ethoxy-4-hydroxy-phenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[(1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[(1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(1R,4aS,8aS)-1-(3-ethoxy-4-hydroxy-phenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-(2-furfuryl)acetamide Formula: C24H33N2O5+ MolecularWeight: 429.52922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3CCCCC3(CC[NH+]2CC(=O)NCC4=CC=CO4)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2[C@@H]3CCCC[C@@]3(CC[NH+]2CC(=O)NCC4=CC=CO4)O)O

InChI

InChI=1S/C24H32N2O5/c1-2-30-21-14-17(8-9-20(21)27)23-19-7-3-4-10-24(19,29)11-12-26(23)16-22(28)25-15-18-6-5-13-31-18/h5-6,8-9,13-14,19,23,27,29H,2-4,7,10-12,15-16H2,1H3,(H,25,28)/p+1/t19-,23-,24-/m0/s1