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

Systemtic Name: 3-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-4-nitro-aniline; methyl sulfate Openeye Name: 3-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-4-nitro-aniline; methyl sulfate CAS Name: 3-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-4-nitroaniline; methyl sulfate IUPAC Name: 3-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-4-nitroaniline; methyl sulfate Traditional Name: 3-(3-methyl-4-imidazolin-1-yl)propyl-(3-methyl-4-nitro-phenyl)amine; methyl sulfate Formula: C15H23N4O6S- MolecularWeight: 387.43132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCCCN2CN(C=C2)C)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NCCCN2CN(C=C2)C)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C14H20N4O2.CH4O4S/c1-12-10-13(4-5-14(12)18(19)20)15-6-3-7-17-9-8-16(2)11-17;1-5-6(2,3)4/h4-5,8-10,15H,3,6-7,11H2,1-2H3;1H3,(H,2,3,4)/p-1