3-[[(3R,3aS,4R,4aR,5S,9aR)-4a,5-dimethyl-4-oxidanyl-2-oxidanylidene-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3R,3aS,4R,4aR,5S,9aR)-4a,5-dimethyl-4-oxidanyl-2-oxidanylidene-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(3R,3aS,4R,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-2-oxo-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-3-yl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(3R,3aS,4R,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-2-oxo-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-3-yl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[(3R,3aS,4R,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-2-oxo-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-3-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(3R,3aS,4R,4aR,5S,9aR)-4-hydroxy-2-keto-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-3-yl]methylammonio]propyl-dimethyl-ammonium Formula: C20H36N2O3+2 MolecularWeight: 352.51144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C2C1(C(C3C(C2)OC(=O)C3C[NH2+]CCC[NH+](C)C)O)C

Isomeric SMILES

C[C@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CCC[NH+](C)C)O)C

InChI

InChI=1S/C20H34N2O3/c1-13-7-5-8-14-11-16-17(18(23)20(13,14)2)15(19(24)25-16)12-21-9-6-10-22(3)4/h8,13,15-18,21,23H,5-7,9-12H2,1-4H3/p+2/t13-,15-,16+,17+,18+,20+/m0/s1