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

Systemtic Name: 1'-oxidanidyl-1'-phenethyl-1-phenyl-spiro[1H-2-benzofuran-3,4'-piperidin-1-ium] Openeye Name: 1'-oxido-1'-phenethyl-1-phenyl-spiro[1H-isobenzofuran-3,4'-piperidin-1-ium] CAS Name: 1'-oxido-1'-phenethyl-1-phenylspiro[1H-isobenzofuran-3,4'-piperidin-1-ium] IUPAC Name: 1'-oxido-1'-phenethyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidin-1-ium] Traditional Name: 1'-oxido-1'-phenethyl-3-phenyl-spiro[phthalan-1,4'-piperidin-1-ium] Formula: C26H27NO2 MolecularWeight: 385.49808

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC12C3=CC=CC=C3C(O2)C4=CC=CC=C4)(CCC5=CC=CC=C5)[O-]

Isomeric SMILES

C1C[N+](CCC12C3=CC=CC=C3C(O2)C4=CC=CC=C4)(CCC5=CC=CC=C5)[O-]

InChI

InChI=1S/C26H27NO2/c28-27(18-15-21-9-3-1-4-10-21)19-16-26(17-20-27)24-14-8-7-13-23(24)25(29-26)22-11-5-2-6-12-22/h1-14,25H,15-20H2