2-[4-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-3-nitro-phenoxy]ethanol; methyl sulfate

Systemtic Name: 2-[4-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-3-nitro-phenoxy]ethanol; methyl sulfate Openeye Name: 2-[4-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-3-nitro-phenoxy]ethanol; methyl sulfate CAS Name: 2-[4-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-3-nitrophenoxy]ethanol; methyl sulfate IUPAC Name: 2-[4-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-3-nitrophenoxy]ethanol; methyl sulfate Traditional Name: 2-[4-[3-(3-methyl-4-imidazolin-1-yl)propylamino]-3-nitro-phenoxy]ethanol; methyl sulfate Formula: C16H25N4O8S- MolecularWeight: 433.4567

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C=C1)CCCNC2=C(C=C(C=C2)OCCO)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CN1CN(C=C1)CCCNC2=C(C=C(C=C2)OCCO)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C15H22N4O4.CH4O4S/c1-17-7-8-18(12-17)6-2-5-16-14-4-3-13(23-10-9-20)11-15(14)19(21)22;1-5-6(2,3)4/h3-4,7-8,11,16,20H,2,5-6,9-10,12H2,1H3;1H3,(H,2,3,4)/p-1