3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-7-phenyl-2,4-dihydro-1-benzoxepin-5-ol

Systemtic Name: 3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-7-phenyl-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-7-phenyl-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 3,3-dimethyl-5-(1-oxido-2-pyridin-1-iumyl)-7-phenyl-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-7-phenyl-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-7-phenyl-2,4-dihydro-1-benzoxepin-5-ol Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C=CC(=C2)C3=CC=CC=C3)OC1)(C4=CC=CC=[N+]4[O-])O)C

Isomeric SMILES

CC1(CC(C2=C(C=CC(=C2)C3=CC=CC=C3)OC1)(C4=CC=CC=[N+]4[O-])O)C

InChI

InChI=1S/C23H23NO3/c1-22(2)15-23(25,21-10-6-7-13-24(21)26)19-14-18(11-12-20(19)27-16-22)17-8-4-3-5-9-17/h3-14,25H,15-16H2,1-2H3