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

Systemtic Name: 7-butan-2-yl-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-7-sec-butyl-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 7-butan-2-yl-3,3-dimethyl-5-(1-oxido-2-pyridin-1-iumyl)-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 7-butan-2-yl-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-7-sec-butyl-2,4-dihydro-1-benzoxepin-5-ol Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OCC(CC2(C3=CC=CC=[N+]3[O-])O)(C)C

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OCC(CC2(C3=CC=CC=[N+]3[O-])O)(C)C

InChI

InChI=1S/C21H27NO3/c1-5-15(2)16-9-10-18-17(12-16)21(23,13-20(3,4)14-25-18)19-8-6-7-11-22(19)24/h6-12,15,23H,5,13-14H2,1-4H3