1-butoxy-3-[4-(2,4-dinitrophenyl)piperazin-1-yl]propan-2-ol hydrochloride

Systemtic Name: 1-butoxy-3-[4-(2,4-dinitrophenyl)piperazin-1-yl]propan-2-ol hydrochloride Openeye Name: 1-butoxy-3-[4-(2,4-dinitrophenyl)piperazin-1-yl]propan-2-ol hydrochloride CAS Name: 1-butoxy-3-[4-(2,4-dinitrophenyl)-1-piperazinyl]-2-propanol hydrochloride IUPAC Name: 1-butoxy-3-[4-(2,4-dinitrophenyl)piperazin-1-yl]propan-2-ol hydrochloride Traditional Name: 1-butoxy-3-[4-(2,4-dinitrophenyl)piperazino]propan-2-ol hydrochloride Formula: C17H27ClN4O6 MolecularWeight: 418.87248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O.Cl

Isomeric SMILES

CCCCOCC(CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O.Cl

InChI

InChI=1S/C17H26N4O6.ClH/c1-2-3-10-27-13-15(22)12-18-6-8-19(9-7-18)16-5-4-14(20(23)24)11-17(16)21(25)26;/h4-5,11,15,22H,2-3,6-10,12-13H2,1H3;1H