1'-(phenylmethyl)spiro[isochromene-1,4'-piperidin-1-ium] bromide

Systemtic Name: 1'-(phenylmethyl)spiro[isochromene-1,4'-piperidin-1-ium] bromide Openeye Name: 1'-benzylspiro[isochromene-1,4'-piperidin-1-ium] bromide CAS Name: 1'-(phenylmethyl)spiro[2-benzopyran-1,4'-piperidin-1-ium] bromide IUPAC Name: 1'-benzylspiro[isochromene-1,4'-piperidin-1-ium] bromide Traditional Name: 1'-benzylspiro[isochromene-1,4'-piperidin-1-ium] bromide Formula: C20H22BrNO MolecularWeight: 372.29878

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12C3=CC=CC=C3C=CO2)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C[NH+](CCC12C3=CC=CC=C3C=CO2)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C20H21NO.BrH/c1-2-6-17(7-3-1)16-21-13-11-20(12-14-21)19-9-5-4-8-18(19)10-15-22-20;/h1-10,15H,11-14,16H2;1H