ditert-butyl 4-oxidanylidene-3,9-dihydro-1H-pyrido[3,4-b]indol-2-ium-2,2-dicarboxylate

Systemtic Name: ditert-butyl 4-oxidanylidene-3,9-dihydro-1H-pyrido[3,4-b]indol-2-ium-2,2-dicarboxylate Openeye Name: ditert-butyl 4-oxo-3,9-dihydro-1H-pyrido[3,4-b]indol-2-ium-2,2-dicarboxylate CAS Name: 4-oxo-3,9-dihydro-1H-pyrido[3,4-b]indol-2-ium-2,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-oxo-3,9-dihydro-1H-pyrido[3,4-b]indol-2-ium-2,2-dicarboxylate Traditional Name: 4-keto-3,9-dihydro-1H-$b-carbolin-2-ium-2,2-dicarboxylic acid ditert-butyl ester Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC2=C(C(=O)C1)C3=CC=CC=C3N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC2=C(C(=O)C1)C3=CC=CC=C3N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26N2O5/c1-20(2,3)27-18(25)23(19(26)28-21(4,5)6)11-15-17(16(24)12-23)13-9-7-8-10-14(13)22-15/h7-10H,11-12H2,1-6H3/p+1