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

Systemtic Name: 2-(3,3-dimethyl-7-propan-2-yl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(7-isopropyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(3,3-dimethyl-7-propan-2-yl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(3,3-dimethyl-7-propan-2-yl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(7-isopropyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C20H23NO2 MolecularWeight: 309.40212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2/c1-14(2)15-8-9-19-16(11-15)17(12-20(3,4)13-23-19)18-7-5-6-10-21(18)22/h5-12,14H,13H2,1-4H3