spiro[8-azoniabicyclo[3.2.1]octane-8,1'-aziridin-1-ium]-3-yl 9-oxidanylxanthene-9-carboxylate

Systemtic Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-aziridin-1-ium]-3-yl 9-oxidanylxanthene-9-carboxylate Openeye Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-aziridin-1-ium]-3-yl 9-hydroxyxanthene-9-carboxylate CAS Name: 9-hydroxy-9-xanthenecarboxylic acid 3-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-aziridin-1-ium]yl ester IUPAC Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-aziridin-1-ium]-3-yl 9-hydroxyxanthene-9-carboxylate Traditional Name: 9-hydroxyxanthene-9-carboxylic acid spiro[8-azoniabicyclo[3.2.1]octane-8,1'-aziridin-1-ium]-3-yl ester Formula: C23H24NO4+ MolecularWeight: 378.44096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1[N+]23CC3)OC(=O)C4(C5=CC=CC=C5OC6=CC=CC=C64)O

Isomeric SMILES

C1CC2CC(CC1[N+]23CC3)OC(=O)C4(C5=CC=CC=C5OC6=CC=CC=C64)O

InChI

InChI=1S/C23H24NO4/c25-22(27-17-13-15-9-10-16(14-17)24(15)11-12-24)23(26)18-5-1-3-7-20(18)28-21-8-4-2-6-19(21)23/h1-8,15-17,26H,9-14H2/q+1