spiro[1,3-dihydroisochromene-4,4'-piperidin-1-ium] chloride

Systemtic Name: spiro[1,3-dihydroisochromene-4,4'-piperidin-1-ium] chloride Openeye Name: spiro[isochromane-4,4'-piperidin-1-ium] chloride CAS Name: spiro[3,4-dihydro-1H-2-benzopyran-4,4'-piperidin-1-ium] chloride IUPAC Name: spiro[1,3-dihydroisochromene-4,4'-piperidin-1-ium] chloride Traditional Name: spiro[isochroman-4,4'-piperidin-1-ium] chloride Formula: C13H18ClNO MolecularWeight: 239.74112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC12COCC3=CC=CC=C23.[Cl-]

Isomeric SMILES

C1C[NH2+]CCC12COCC3=CC=CC=C23.[Cl-]

InChI

InChI=1S/C13H17NO.ClH/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13;/h1-4,14H,5-10H2;1H