6-[(2-pyridin-2-ylcyclohexa-1,3-dien-1-yl)methyl]-2H-pyridin-1-ium 1-oxide

Systemtic Name: 6-[(2-pyridin-2-ylcyclohexa-1,3-dien-1-yl)methyl]-2H-pyridin-1-ium 1-oxide Openeye Name: 6-[[2-(2-pyridyl)cyclohexa-1,3-dien-1-yl]methyl]-2H-pyridin-1-ium 1-oxide CAS Name: 6-[[2-(2-pyridinyl)-1-cyclohexa-1,3-dienyl]methyl]-2H-pyridin-1-ium 1-oxide IUPAC Name: 6-[(2-pyridin-2-ylcyclohexa-1,3-dien-1-yl)methyl]-2H-pyridin-1-ium 1-oxide Traditional Name: 6-[[2-(2-pyridyl)cyclohexa-1,3-dien-1-yl]methyl]-2H-pyridin-1-ium 1-oxide Formula: C17H17N2O+ MolecularWeight: 265.32968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)C2=CC=CC=N2)CC3=CC=CC[N+]3=O

Isomeric SMILES

C1CC(=C(C=C1)C2=CC=CC=N2)CC3=CC=CC[N+]3=O

InChI

InChI=1S/C17H17N2O/c20-19-12-6-4-8-15(19)13-14-7-1-2-9-16(14)17-10-3-5-11-18-17/h2-6,8-11H,1,7,12-13H2/q+1