5,6-dimethoxy-2-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-2,3-dihydroinden-1-one

Systemtic Name: 5,6-dimethoxy-2-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-2,3-dihydroinden-1-one Openeye Name: 5,6-dimethoxy-2-[(1-oxidopyridin-1-ium-4-yl)methyl]indan-1-one CAS Name: 5,6-dimethoxy-2-[(1-oxido-4-pyridin-1-iumyl)methyl]-2,3-dihydroinden-1-one IUPAC Name: 5,6-dimethoxy-2-[(1-oxidopyridin-1-ium-4-yl)methyl]-2,3-dihydroinden-1-one Traditional Name: 5,6-dimethoxy-2-[(1-oxidopyridin-1-ium-4-yl)methyl]indan-1-one Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)CC3=CC=[N+](C=C3)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CC3=CC=[N+](C=C3)[O-])OC

InChI

InChI=1S/C17H17NO4/c1-21-15-9-12-8-13(7-11-3-5-18(20)6-4-11)17(19)14(12)10-16(15)22-2/h3-6,9-10,13H,7-8H2,1-2H3