[(3R,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxidanylidene-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methyl-[2-(4-fluorophenyl)ethyl]azanium

Systemtic Name: [(3R,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxidanylidene-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methyl-[2-(4-fluorophenyl)ethyl]azanium Openeye Name: [(3R,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-3-yl]methyl-[2-(4-fluorophenyl)ethyl]ammonium CAS Name: [(3R,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-3-yl]methyl-[2-(4-fluorophenyl)ethyl]ammonium IUPAC Name: [(3R,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methyl-[2-(4-fluorophenyl)ethyl]azanium Traditional Name: [(3R,3aR,5S,8aR,9aR)-2-keto-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-3-yl]methyl-[2-(4-fluorophenyl)ethyl]ammonium Formula: C23H31FNO2+ MolecularWeight: 372.496143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2(C1=CC3C(C2)OC(=O)C3C[NH2+]CCC4=CC=C(C=C4)F)C

Isomeric SMILES

C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CCC4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H30FNO2/c1-15-4-3-10-23(2)13-21-18(12-20(15)23)19(22(26)27-21)14-25-11-9-16-5-7-17(24)8-6-16/h5-8,12,15,18-19,21,25H,3-4,9-11,13-14H2,1-2H3/p+1/t15-,18+,19-,21+,23+/m0/s1