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

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

Systemtic Name:1-butoxy-3-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]propan-2-ol chloride
Openeye Name:1-butoxy-3-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]propan-2-ol chloride
CAS Name:1-butoxy-3-[4-(2,4-dinitrophenyl)-1-piperazin-1-iumyl]-2-propanol chloride
IUPAC Name:1-butoxy-3-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]propan-2-ol chloride
Traditional Name:1-butoxy-3-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]propan-2-ol chloride
Formula: C17H27ClN4O6
MolecularWeight: 418.87248
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CCCCOCC(C[NH+]1CCN(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


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