2-(7-ethyl-3,3-dimethyl-4,5-dihydro-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(7-ethyl-3,3-dimethyl-4,5-dihydro-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(7-ethyl-3,3-dimethyl-4,5-dihydro-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(7-ethyl-3,3-dimethyl-4,5-dihydro-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(7-ethyl-3,3-dimethyl-4,5-dihydro-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(7-ethyl-3,3-dimethyl-4,5-dihydro-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C19H23NO2 MolecularWeight: 297.39142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OCC(CC2C3=CC=CC=[N+]3[O-])(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OCC(CC2C3=CC=CC=[N+]3[O-])(C)C

InChI

InChI=1S/C19H23NO2/c1-4-14-8-9-18-15(11-14)16(12-19(2,3)13-22-18)17-7-5-6-10-20(17)21/h5-11,16H,4,12-13H2,1-3H3