ethyl 2-(4-methylpyridin-1-ium-1-yl)ethanoate; 3-nitrobenzenesulfonate

Systemtic Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)ethanoate; 3-nitrobenzenesulfonate Openeye Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)acetate; 3-nitrobenzenesulfonate CAS Name: 2-(4-methyl-1-pyridin-1-iumyl)acetic acid ethyl ester; 3-nitrobenzenesulfonate IUPAC Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)acetate; 3-nitrobenzenesulfonate Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)acetic acid ethyl ester; 3-nitrobesylate Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=C(C=C1)C.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=C(C=C1)C.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H14NO2.C6H5NO5S/c1-3-13-10(12)8-11-6-4-9(2)5-7-11;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h4-7H,3,8H2,1-2H3;1-4H,(H,10,11,12)/q+1;/p-1