1-[1-(4-oxidanylidene-8-phenyl-chromen-2-yl)piperidin-1-ium-1-yl]ethyl (phenylmethyl) carbonate

Systemtic Name: 1-[1-(4-oxidanylidene-8-phenyl-chromen-2-yl)piperidin-1-ium-1-yl]ethyl (phenylmethyl) carbonate Openeye Name: benzyl 1-[1-(4-oxo-8-phenyl-chromen-2-yl)piperidin-1-ium-1-yl]ethyl carbonate CAS Name: carbonic acid 1-[1-(4-oxo-8-phenyl-1-benzopyran-2-yl)-1-piperidin-1-iumyl]ethyl (phenylmethyl) ester IUPAC Name: benzyl 1-[1-(4-oxo-8-phenylchromen-2-yl)piperidin-1-ium-1-yl]ethyl carbonate Traditional Name: carbonic acid benzyl 1-[1-(4-keto-8-phenyl-chromen-2-yl)piperidin-1-ium-1-yl]ethyl ester Formula: C30H30NO5+ MolecularWeight: 484.5629

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1(CCCCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4)OC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC([N+]1(CCCCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4)OC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H30NO5/c1-22(35-30(33)34-21-23-12-5-2-6-13-23)31(18-9-4-10-19-31)28-20-27(32)26-17-11-16-25(29(26)36-28)24-14-7-3-8-15-24/h2-3,5-8,11-17,20,22H,4,9-10,18-19,21H2,1H3/q+1