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

Systemtic Name: 4-methoxy-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-2-nitro-aniline; methyl sulfate; hydrate Openeye Name: 4-methoxy-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-2-nitro-aniline; methyl sulfate; hydrate CAS Name: 4-methoxy-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-2-nitroaniline; methyl sulfate; hydrate IUPAC Name: 4-methoxy-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-2-nitroaniline; methyl sulfate; hydrate Traditional Name: (4-methoxy-2-nitro-phenyl)-[3-(3-methyl-4-imidazolin-1-yl)propyl]amine; methyl sulfate; hydrate Formula: C15H25N4O8S- MolecularWeight: 421.446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3.CH4O4S.H2O/c1-16-8-9-17(11-16)7-3-6-15-13-5-4-12(21-2)10-14(13)18(19)20;1-5-6(2,3)4;/h4-5,8-10,15H,3,6-7,11H2,1-2H3;1H3,(H,2,3,4);1H2/p-1