2-[[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amino]ethanol chloride

Systemtic Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amino]ethanol chloride Openeye Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-anilino]ethanol chloride CAS Name: 2-[5-(4-methyl-1-piperazin-4-iumyl)-2-nitroanilino]ethanol chloride IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitroanilino]ethanol chloride Traditional Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-anilino]ethanol chloride Formula: C13H21ClN4O3 MolecularWeight: 316.78384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCO.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCO.[Cl-]

InChI

InChI=1S/C13H20N4O3.ClH/c1-15-5-7-16(8-6-15)11-2-3-13(17(19)20)12(10-11)14-4-9-18;/h2-3,10,14,18H,4-9H2,1H3;1H