methyl 2-[(2R,3Z,5S,12bS)-3-ethylidene-5-oxidanidyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R,3Z,5S,12bS)-3-ethylidene-5-oxidanidyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R,3Z,5S,12bS)-3-ethylidene-5-oxido-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]acetate CAS Name: 2-[(2R,3Z,5S,12bS)-3-ethylidene-5-oxido-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,3Z,5S,12bS)-3-ethylidene-5-oxido-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]acetate Traditional Name: 2-[(2R,3Z,5S,12bS)-3-ethylidene-5-oxido-2,4,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-5-ium-2-yl]acetic acid methyl ester Formula: C20H24N2O3 MolecularWeight: 340.41616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C1C[N+]2(CCC3=C(C2CC1CC(=O)OC)NC4=CC=CC=C34)[O-]

Isomeric SMILES

C/C=C/1\C[N@+]2(CCC3=C([C@@H]2C[C@@H]1CC(=O)OC)NC4=CC=CC=C34)[O-]

InChI

InChI=1S/C20H24N2O3/c1-3-13-12-22(24)9-8-16-15-6-4-5-7-17(15)21-20(16)18(22)10-14(13)11-19(23)25-2/h3-7,14,18,21H,8-12H2,1-2H3/b13-3+/t14-,18+,22+/m1/s1