tert-butyl (5S,12bS)-5-oxidanidyl-4,6,7,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium-12-carboxylate

Systemtic Name: tert-butyl (5S,12bS)-5-oxidanidyl-4,6,7,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium-12-carboxylate Openeye Name: tert-butyl (5S,12bS)-5-oxido-4,6,7,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium-12-carboxylate CAS Name: (5S,12bS)-5-oxido-4,6,7,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium-12-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S,12bS)-5-oxido-4,6,7,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium-12-carboxylate Traditional Name: (5S,12bS)-5-oxido-4,6,7,12b-tetrahydro-1H-pyrido[2,1-a]$b-carbolin-5-ium-12-carboxylic acid tert-butyl ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C3=C1C4CC=CC[N+]4(CC3)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C3=C1[C@@H]4CC=CC[N@+]4(CC3)[O-]

InChI

InChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)21-16-9-5-4-8-14(16)15-11-13-22(24)12-7-6-10-17(22)18(15)21/h4-9,17H,10-13H2,1-3H3/t17-,22+/m0/s1