(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(morpholin-4-ium-4-ylmethyl)-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Systemtic Name: (3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(morpholin-4-ium-4-ylmethyl)-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one Openeye Name: (3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(morpholin-4-ium-4-ylmethyl)-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one CAS Name: (3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(4-morpholin-4-iumylmethyl)-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one IUPAC Name: (3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(morpholin-4-ium-4-ylmethyl)-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one Traditional Name: (3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(morpholin-4-ium-4-ylmethyl)-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2(C1=CC3C(C2)OC(=O)C3C[NH+]4CCOCC4)C

Isomeric SMILES

C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4CCOCC4)C

InChI

InChI=1S/C19H29NO3/c1-13-4-3-5-19(2)11-17-14(10-16(13)19)15(18(21)23-17)12-20-6-8-22-9-7-20/h10,13-15,17H,3-9,11-12H2,1-2H3/p+1/t13-,14+,15+,17+,19+/m0/s1