7-bromanyl-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-3-yl)-2,4-dihydro-1-benzoxepin-5-ol

Systemtic Name: 7-bromanyl-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-3-yl)-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 7-bromo-3,3-dimethyl-5-(1-oxidopyridin-1-ium-3-yl)-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 7-bromo-3,3-dimethyl-5-(1-oxido-3-pyridin-1-iumyl)-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 7-bromo-3,3-dimethyl-5-(1-oxidopyridin-1-ium-3-yl)-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 7-bromo-3,3-dimethyl-5-(1-oxidopyridin-1-ium-3-yl)-2,4-dihydro-1-benzoxepin-5-ol Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C=CC(=C2)Br)OC1)(C3=C[N+](=CC=C3)[O-])O)C

Isomeric SMILES

CC1(CC(C2=C(C=CC(=C2)Br)OC1)(C3=C[N+](=CC=C3)[O-])O)C

InChI

InChI=1S/C17H18BrNO3/c1-16(2)10-17(20,12-4-3-7-19(21)9-12)14-8-13(18)5-6-15(14)22-11-16/h3-9,20H,10-11H2,1-2H3