1-methyl-4-(3-nitrophenyl)pyridin-1-ium; methyl sulfate

Systemtic Name: 1-methyl-4-(3-nitrophenyl)pyridin-1-ium; methyl sulfate Openeye Name: 1-methyl-4-(3-nitrophenyl)pyridin-1-ium; methyl sulfate CAS Name: 1-methyl-4-(3-nitrophenyl)pyridin-1-ium; methyl sulfate IUPAC Name: 1-methyl-4-(3-nitrophenyl)pyridin-1-ium; methyl sulfate Traditional Name: 1-methyl-4-(3-nitrophenyl)pyridin-1-ium; methyl sulfate Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C12H11N2O2.CH4O4S/c1-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1