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

Systemtic Name: 1'-methyl-1'-oxidanidyl-1-phenyl-spiro[1H-2-benzofuran-3,4'-piperidin-1-ium] hydrate Openeye Name: 1'-methyl-1'-oxido-1-phenyl-spiro[1H-isobenzofuran-3,4'-piperidin-1-ium] hydrate CAS Name: 1'-methyl-1'-oxido-1-phenylspiro[1H-isobenzofuran-3,4'-piperidin-1-ium] hydrate IUPAC Name: 1'-methyl-1'-oxido-1-phenylspiro[1H-2-benzofuran-3,4'-piperidin-1-ium] hydrate Traditional Name: 1'-methyl-1'-oxido-3-phenyl-spiro[phthalan-1,4'-piperidin-1-ium] hydrate Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO2.H2O/c1-20(21)13-11-19(12-14-20)17-10-6-5-9-16(17)18(22-19)15-7-3-2-4-8-15;/h2-10,18H,11-14H2,1H3;1H2