2-[3,3-dimethyl-7-(2-methylpropyl)-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[3,3-dimethyl-7-(2-methylpropyl)-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(7-isobutyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-[3,3-dimethyl-7-(2-methylpropyl)-2H-1-benzoxepin-5-yl]-1-oxidopyridin-1-ium IUPAC Name: 2-[3,3-dimethyl-7-(2-methylpropyl)-2H-1-benzoxepin-5-yl]-1-oxidopyridin-1-ium Traditional Name: 2-(7-isobutyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C=C1)OCC(C=C2C3=CC=CC=[N+]3[O-])(C)C

Isomeric SMILES

CC(C)CC1=CC2=C(C=C1)OCC(C=C2C3=CC=CC=[N+]3[O-])(C)C

InChI

InChI=1S/C21H25NO2/c1-15(2)11-16-8-9-20-17(12-16)18(13-21(3,4)14-24-20)19-7-5-6-10-22(19)23/h5-10,12-13,15H,11,14H2,1-4H3