4-chloranyl-5-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline; methyl sulfate

Systemtic Name: 4-chloranyl-5-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline; methyl sulfate Openeye Name: 4-chloro-5-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline; methyl sulfate CAS Name: 4-chloro-5-methoxy-N-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-2-nitroaniline; methyl sulfate IUPAC Name: 4-chloro-5-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitroaniline; methyl sulfate Traditional Name: (4-chloro-5-methoxy-2-nitro-phenyl)-[3-(3-methylimidazol-3-ium-1-yl)propyl]amine; methyl sulfate Formula: C15H21ClN4O7S MolecularWeight: 436.86784

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=CC(=C(C=C2[N+](=O)[O-])Cl)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=CC(=C(C=C2[N+](=O)[O-])Cl)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H18ClN4O3.CH4O4S/c1-17-6-7-18(10-17)5-3-4-16-12-9-14(22-2)11(15)8-13(12)19(20)21;1-5-6(2,3)4/h6-10,16H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1