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

Systemtic Name: 7-methoxy-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 7-methoxy-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 7-methoxy-3,3-dimethyl-5-(1-oxido-2-pyridin-1-iumyl)-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 7-methoxy-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 7-methoxy-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C=CC(=C2)OC)OC1)(C3=CC=CC=[N+]3[O-])O)C

Isomeric SMILES

CC1(CC(C2=C(C=CC(=C2)OC)OC1)(C3=CC=CC=[N+]3[O-])O)C

InChI

InChI=1S/C18H21NO4/c1-17(2)11-18(20,16-6-4-5-9-19(16)21)14-10-13(22-3)7-8-15(14)23-12-17/h4-10,20H,11-12H2,1-3H3