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

Systemtic Name: 6-[(2-pyridin-3-ylcyclohexa-1,3-dien-1-yl)methyl]-2H-pyridin-1-ium 1-oxide Openeye Name: 6-[[2-(3-pyridyl)cyclohexa-1,3-dien-1-yl]methyl]-2H-pyridin-1-ium 1-oxide CAS Name: 6-[[2-(3-pyridinyl)-1-cyclohexa-1,3-dienyl]methyl]-2H-pyridin-1-ium 1-oxide IUPAC Name: 6-[(2-pyridin-3-ylcyclohexa-1,3-dien-1-yl)methyl]-2H-pyridin-1-ium 1-oxide Traditional Name: 6-[[2-(3-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=CN=CC=C2)CC3=CC=CC[N+]3=O

Isomeric SMILES

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

InChI

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