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

Systemtic Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-aziridin-1-ium]-3-yl 9-methylxanthene-9-carboxylate Openeye Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-aziridin-1-ium]-3-yl 9-methylxanthene-9-carboxylate CAS Name: 9-methyl-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-methylxanthene-9-carboxylate Traditional Name: 9-methylxanthene-9-carboxylic acid spiro[8-azoniabicyclo[3.2.1]octane-8,1'-aziridin-1-ium]-3-yl ester Formula: C24H26NO3+ MolecularWeight: 376.46814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC4CC5CCC(C4)[N+]56CC6

Isomeric SMILES

CC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC4CC5CCC(C4)[N+]56CC6

InChI

InChI=1S/C24H26NO3/c1-24(19-6-2-4-8-21(19)28-22-9-5-3-7-20(22)24)23(26)27-18-14-16-10-11-17(15-18)25(16)12-13-25/h2-9,16-18H,10-15H2,1H3/q+1