1'-butyl-1'-oxidanidyl-1-phenyl-spiro[1H-2-benzofuran-3,4'-piperidin-1-ium]

Systemtic Name: 1'-butyl-1'-oxidanidyl-1-phenyl-spiro[1H-2-benzofuran-3,4'-piperidin-1-ium] Openeye Name: 1'-butyl-1'-oxido-1-phenyl-spiro[1H-isobenzofuran-3,4'-piperidin-1-ium] CAS Name: 1'-butyl-1'-oxido-1-phenylspiro[1H-isobenzofuran-3,4'-piperidin-1-ium] IUPAC Name: 1'-butyl-1'-oxido-1-phenylspiro[1H-2-benzofuran-3,4'-piperidin-1-ium] Traditional Name: 1'-butyl-1'-oxido-3-phenyl-spiro[phthalan-1,4'-piperidin-1-ium] Formula: C22H27NO2 MolecularWeight: 337.45528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC2(CC1)C3=CC=CC=C3C(O2)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCCC[N+]1(CCC2(CC1)C3=CC=CC=C3C(O2)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H27NO2/c1-2-3-15-23(24)16-13-22(14-17-23)20-12-8-7-11-19(20)21(25-22)18-9-5-4-6-10-18/h4-12,21H,2-3,13-17H2,1H3