2-[(2R,3R,5S,12bS)-3-ethenyl-9-methoxy-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]ethanol chloride

Systemtic Name: 2-[(2R,3R,5S,12bS)-3-ethenyl-9-methoxy-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]ethanol chloride Openeye Name: 2-[(2R,3R,5S,12bS)-9-methoxy-5-methyl-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]ethanol chloride CAS Name: 2-[(2R,3R,5S,12bS)-3-ethenyl-9-methoxy-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]ethanol chloride IUPAC Name: 2-[(2R,3R,5S,12bS)-3-ethenyl-9-methoxy-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]ethanol chloride Traditional Name: 2-[(2R,3R,5S,12bS)-9-methoxy-5-methyl-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-5-ium-2-yl]ethanol chloride Formula: C21H29ClN2O2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC3=C(C1CC(C(C2)C=C)CCO)NC4=C3C=C(C=C4)OC.[Cl-]

Isomeric SMILES

C[N@@+]12CCC3=C([C@@H]1C[C@@H]([C@H](C2)C=C)CCO)NC4=C3C=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C21H29N2O2.ClH/c1-4-14-13-23(2)9-7-17-18-12-16(25-3)5-6-19(18)22-21(17)20(23)11-15(14)8-10-24;/h4-6,12,14-15,20,22,24H,1,7-11,13H2,2-3H3;1H/q+1;/p-1/t14-,15-,20-,23-;/m0./s1