2-(7-chloranyl-8-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(7-chloranyl-8-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(7-chloro-8-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(7-chloro-8-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(7-chloro-8-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(7-chloro-8-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C19H20ClNO2 MolecularWeight: 329.8206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)OCC(C=C2C3=CC=CC=[N+]3[O-])(C)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=C1)OCC(C=C2C3=CC=CC=[N+]3[O-])(C)C)Cl

InChI

InChI=1S/C19H20ClNO2/c1-4-13-9-18-14(10-16(13)20)15(11-19(2,3)12-23-18)17-7-5-6-8-21(17)22/h5-11H,4,12H2,1-3H3