2-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]-4-nitro-phenol

Systemtic Name: 2-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]-4-nitro-phenol Openeye Name: 2-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]-4-nitro-phenol CAS Name: 2-[[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]methyl]-4-nitrophenol IUPAC Name: 2-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]-4-nitrophenol Traditional Name: 2-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]-4-nitro-phenol Formula: C18H17N3O3+2 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N3O3/c1-19-8-4-14(5-9-19)15-6-10-20(11-7-15)13-16-12-17(21(23)24)2-3-18(16)22/h2-12H,13H2,1H3/q+1/p+1