3-[[2-chloranyl-5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-4-nitro-phenyl]amino]propyl-trimethyl-azanium

Systemtic Name: 3-[[2-chloranyl-5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-4-nitro-phenyl]amino]propyl-trimethyl-azanium Openeye Name: 3-[2-chloro-5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-4-nitro-anilino]propyl-trimethyl-ammonium CAS Name: 3-[2-chloro-5-[3-(3-methyl-1-imidazol-3-iumyl)propylamino]-4-nitroanilino]propyl-trimethylammonium IUPAC Name: 3-[2-chloro-5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-4-nitroanilino]propyl-trimethylazanium Traditional Name: 3-[2-chloro-5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-4-nitro-anilino]propyl-trimethyl-ammonium Formula: C19H31ClN6O2+2 MolecularWeight: 410.94144

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=CC(=C(C=C2[N+](=O)[O-])Cl)NCCC[N+](C)(C)C

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=CC(=C(C=C2[N+](=O)[O-])Cl)NCCC[N+](C)(C)C

InChI

InChI=1S/C19H31ClN6O2/c1-23-10-11-24(15-23)9-5-7-22-18-14-17(16(20)13-19(18)25(27)28)21-8-6-12-26(2,3)4/h10-11,13-15,21-22H,5-9,12H2,1-4H3/q+2