N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-4-nitro-aniline; methyl sulfate

Systemtic Name: N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-4-nitro-aniline; methyl sulfate Openeye Name: N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-4-nitro-aniline; methyl sulfate CAS Name: N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-4-nitroaniline; methyl sulfate IUPAC Name: N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-4-nitroaniline; methyl sulfate Traditional Name: 3-(3-methyl-4-imidazolin-1-yl)propyl-(4-nitrophenyl)amine; methyl sulfate Formula: C14H21N4O6S- MolecularWeight: 373.40474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2.CH4O4S/c1-15-9-10-16(11-15)8-2-7-14-12-3-5-13(6-4-12)17(18)19;1-5-6(2,3)4/h3-6,9-10,14H,2,7-8,11H2,1H3;1H3,(H,2,3,4)/p-1