1-(2,4-dinitrophenyl)-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-(2,4-dinitrophenyl)-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-(2,4-dinitrophenyl)-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-(2,4-dinitrophenyl)-N,N-diethyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-(2,4-dinitrophenyl)-N,N-diethylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(2,4-dinitrophenyl)-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Formula: C16H17ClN4O5 MolecularWeight: 380.78298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C16H17N4O5.ClH/c1-3-17(4-2)16(21)12-6-5-9-18(11-12)14-8-7-13(19(22)23)10-15(14)20(24)25;/h5-11H,3-4H2,1-2H3;1H/q+1;/p-1