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

Systemtic Name: ditert-butyl 4-oxidanyl-4-propyl-3,9-dihydro-1H-pyrido[3,4-b]indol-2-ium-2,2-dicarboxylate Openeye Name: ditert-butyl 4-hydroxy-4-propyl-3,9-dihydro-1H-pyrido[3,4-b]indol-2-ium-2,2-dicarboxylate CAS Name: 4-hydroxy-4-propyl-3,9-dihydro-1H-pyrido[3,4-b]indol-2-ium-2,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-hydroxy-4-propyl-3,9-dihydro-1H-pyrido[3,4-b]indol-2-ium-2,2-dicarboxylate Traditional Name: 4-hydroxy-4-propyl-3,9-dihydro-1H-$b-carbolin-2-ium-2,2-dicarboxylic acid ditert-butyl ester Formula: C24H35N2O5+ MolecularWeight: 431.5451

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C[N+](CC2=C1C3=CC=CC=C3N2)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCC1(C[N+](CC2=C1C3=CC=CC=C3N2)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C24H35N2O5/c1-8-13-24(29)15-26(20(27)30-22(2,3)4,21(28)31-23(5,6)7)14-18-19(24)16-11-9-10-12-17(16)25-18/h9-12,25,29H,8,13-15H2,1-7H3/q+1