1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1-piperidin-1-ylpiperidin-1-ium-1-yl)ethanone dihydrochloride

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1-piperidin-1-ylpiperidin-1-ium-1-yl)ethanone dihydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-[1-(1-piperidyl)piperidin-1-ium-1-yl]ethanone dihydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-[1-(1-piperidinyl)-1-piperidin-1-iumyl]ethanone dihydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(1-piperidin-1-ylpiperidin-1-ium-1-yl)ethanone dihydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(1-piperidinopiperidin-1-ium-1-yl)ethanone dihydrochloride Formula: C18H28Cl2N3O5+ MolecularWeight: 437.33802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)[N+]2(CCCCC2)CC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CCN(CC1)[N+]2(CCCCC2)CC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C18H25N3O5.2ClH/c22-16-12-14(11-15(18(16)24)20(25)26)17(23)13-21(9-5-2-6-10-21)19-7-3-1-4-8-19;;/h11-12H,1-10,13H2,(H-,22,23,24);2*1H/p+1