2-[1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanol; methyl sulfate

Systemtic Name: 2-[1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanol; methyl sulfate Openeye Name: 2-[1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanol; methyl sulfate CAS Name: 2-[1-methyl-4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethanol; methyl sulfate IUPAC Name: 2-[1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanol; methyl sulfate Traditional Name: 2-[1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanol; methyl sulfate Formula: C14H23N3O7S MolecularWeight: 377.41332

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])CCO.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])CCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H20N3O3.CH4O4S/c1-16(10-11-17)8-6-14(7-9-16)12-2-4-13(5-3-12)15(18)19;1-5-6(2,3)4/h2-5,17H,6-11H2,1H3;1H3,(H,2,3,4)/q+1;/p-1