2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-4-nitro-aniline chloride hydrochloride

Systemtic Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-4-nitro-aniline chloride hydrochloride Openeye Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-4-nitro-aniline chloride hydrochloride CAS Name: 2-[3-(3-methyl-1-imidazol-3-iumyl)propoxy]-4-nitroaniline chloride hydrochloride IUPAC Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-4-nitroaniline chloride hydrochloride Traditional Name: [2-[3-(3-methylimidazol-3-ium-1-yl)propoxy]-4-nitro-phenyl]amine chloride hydrochloride Formula: C13H18Cl2N4O3 MolecularWeight: 349.21302

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCOC2=C(C=CC(=C2)[N+](=O)[O-])N.Cl.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCCOC2=C(C=CC(=C2)[N+](=O)[O-])N.Cl.[Cl-]

InChI

InChI=1S/C13H17N4O3.2ClH/c1-15-6-7-16(10-15)5-2-8-20-13-9-11(17(18)19)3-4-12(13)14;;/h3-4,6-7,9-10H,2,5,8,14H2,1H3;2*1H/q+1;;/p-1