2-chloranyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-6-nitro-aniline; methyl sulfate

Systemtic Name: 2-chloranyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-6-nitro-aniline; methyl sulfate Openeye Name: 2-chloro-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-6-nitro-aniline; methyl sulfate CAS Name: 2-chloro-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-6-nitroaniline; methyl sulfate IUPAC Name: 2-chloro-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-6-nitroaniline; methyl sulfate Traditional Name: (2-chloro-6-nitro-phenyl)-[3-(3-methyl-4-imidazolin-1-yl)propyl]amine; methyl sulfate Formula: C14H20ClN4O6S- MolecularWeight: 407.8498

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C=C1)CCCNC2=C(C=CC=C2Cl)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CN1CN(C=C1)CCCNC2=C(C=CC=C2Cl)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C13H17ClN4O2.CH4O4S/c1-16-8-9-17(10-16)7-3-6-15-13-11(14)4-2-5-12(13)18(19)20;1-5-6(2,3)4/h2,4-5,8-9,15H,3,6-7,10H2,1H3;1H3,(H,2,3,4)/p-1