N-[1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]-4-nitro-aniline chloride

Systemtic Name: N-[1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]-4-nitro-aniline chloride Openeye Name: N-[1-methyl-2-(3-methylimidazol-3-ium-1-yl)ethyl]-4-nitro-aniline chloride CAS Name: N-[1-(3-methyl-1-imidazol-3-iumyl)propan-2-yl]-4-nitroaniline chloride IUPAC Name: N-[1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]-4-nitroaniline chloride Traditional Name: [1-methyl-2-(3-methylimidazol-3-ium-1-yl)ethyl]-(4-nitrophenyl)amine chloride Formula: C13H17ClN4O2 MolecularWeight: 296.75268

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C[N+](=C1)C)NC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC(CN1C=C[N+](=C1)C)NC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H17N4O2.ClH/c1-11(9-16-8-7-15(2)10-16)14-12-3-5-13(6-4-12)17(18)19;/h3-8,10-11,14H,9H2,1-2H3;1H/q+1;/p-1