5-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-2-nitro-phenol; methyl sulfate

Systemtic Name: 5-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-2-nitro-phenol; methyl sulfate Openeye Name: 5-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-2-nitro-phenol; methyl sulfate CAS Name: 5-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-2-nitrophenol; methyl sulfate IUPAC Name: 5-[3-(3-methyl-2H-imidazol-1-yl)propylamino]-2-nitrophenol; methyl sulfate Traditional Name: 5-[3-(3-methyl-4-imidazolin-1-yl)propylamino]-2-nitro-phenol; methyl sulfate Formula: C14H21N4O7S- MolecularWeight: 389.40414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3.CH4O4S/c1-15-7-8-16(10-15)6-2-5-14-11-3-4-12(17(19)20)13(18)9-11;1-5-6(2,3)4/h3-4,7-9,14,18H,2,5-6,10H2,1H3;1H3,(H,2,3,4)/p-1