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

Systemtic Name: 2-(7-chloranyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C17H16ClNO2 MolecularWeight: 301.76744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)Cl)C(=C1)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)Cl)C(=C1)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H16ClNO2/c1-17(2)10-14(15-5-3-4-8-19(15)20)13-9-12(18)6-7-16(13)21-11-17/h3-10H,11H2,1-2H3