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

Systemtic Name: 6-[(2-pyrimidin-2-ylcyclohexa-1,3-dien-1-yl)methyl]-2H-pyridin-1-ium 1-oxide Openeye Name: 6-[(2-pyrimidin-2-ylcyclohexa-1,3-dien-1-yl)methyl]-2H-pyridin-1-ium 1-oxide CAS Name: 6-[[2-(2-pyrimidinyl)-1-cyclohexa-1,3-dienyl]methyl]-2H-pyridin-1-ium 1-oxide IUPAC Name: 6-[(2-pyrimidin-2-ylcyclohexa-1,3-dien-1-yl)methyl]-2H-pyridin-1-ium 1-oxide Traditional Name: 6-[[2-(2-pyrimidyl)cyclohexa-1,3-dien-1-yl]methyl]-2H-pyridin-1-ium 1-oxide Formula: C16H16N3O+ MolecularWeight: 266.31774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N3O/c20-19-11-4-3-7-14(19)12-13-6-1-2-8-15(13)16-17-9-5-10-18-16/h2-5,7-10H,1,6,11-12H2/q+1