N4,N4-diethyl-N1-[3-(3-methyl-2H-imidazol-1-yl)propyl]-2-nitro-benzene-1,4-diamine; methyl sulfate

Systemtic Name: N4,N4-diethyl-N1-[3-(3-methyl-2H-imidazol-1-yl)propyl]-2-nitro-benzene-1,4-diamine; methyl sulfate Openeye Name: N4,N4-diethyl-N1-[3-(3-methyl-2H-imidazol-1-yl)propyl]-2-nitro-benzene-1,4-diamine; methyl sulfate CAS Name: N4,N4-diethyl-N1-[3-(3-methyl-2H-imidazol-1-yl)propyl]-2-nitrobenzene-1,4-diamine; methyl sulfate IUPAC Name: 4-N,4-N-diethyl-1-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-2-nitrobenzene-1,4-diamine; methyl sulfate Traditional Name: diethyl-[4-[3-(3-methyl-4-imidazolin-1-yl)propylamino]-3-nitro-phenyl]amine; methyl sulfate Formula: C18H30N5O6S- MolecularWeight: 444.5257

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NCCCN2CN(C=C2)C)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NCCCN2CN(C=C2)C)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C17H27N5O2.CH4O4S/c1-4-21(5-2)15-7-8-16(17(13-15)22(23)24)18-9-6-10-20-12-11-19(3)14-20;1-5-6(2,3)4/h7-8,11-13,18H,4-6,9-10,14H2,1-3H3;1H3,(H,2,3,4)/p-1