2-ethyl-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol

Systemtic Name: 2-ethyl-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 2-ethyl-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 2-ethyl-3,3-dimethyl-5-(1-oxido-2-pyridin-1-iumyl)-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 2-ethyl-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 2-ethyl-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC(C2=CC=CC=C2O1)(C3=CC=CC=[N+]3[O-])O)(C)C

Isomeric SMILES

CCC1C(CC(C2=CC=CC=C2O1)(C3=CC=CC=[N+]3[O-])O)(C)C

InChI

InChI=1S/C19H23NO3/c1-4-17-18(2,3)13-19(21,16-11-7-8-12-20(16)22)14-9-5-6-10-15(14)23-17/h5-12,17,21H,4,13H2,1-3H3