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

Systemtic Name: N-[2-methyl-1-(3-methylimidazol-3-ium-1-yl)butan-2-yl]-4-nitro-aniline chloride Openeye Name: N-[1-methyl-1-[(3-methylimidazol-3-ium-1-yl)methyl]propyl]-4-nitro-aniline chloride CAS Name: N-[2-methyl-1-(3-methyl-1-imidazol-3-iumyl)butan-2-yl]-4-nitroaniline chloride IUPAC Name: N-[2-methyl-1-(3-methylimidazol-3-ium-1-yl)butan-2-yl]-4-nitroaniline chloride Traditional Name: [1-methyl-1-[(3-methylimidazol-3-ium-1-yl)methyl]propyl]-(4-nitrophenyl)amine chloride Formula: C15H21ClN4O2 MolecularWeight: 324.80584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N4O2.ClH/c1-4-15(2,11-18-10-9-17(3)12-18)16-13-5-7-14(8-6-13)19(20)21;/h5-10,12,16H,4,11H2,1-3H3;1H/q+1;/p-1