1-(2-butoxy-5-nitro-phenyl)-4-methyl-piperazine; sulfuric acid

Systemtic Name: 1-(2-butoxy-5-nitro-phenyl)-4-methyl-piperazine; sulfuric acid Openeye Name: 1-(2-butoxy-5-nitro-phenyl)-4-methyl-piperazine; sulfuric acid CAS Name: 1-(2-butoxy-5-nitrophenyl)-4-methylpiperazine; sulfuric acid IUPAC Name: 1-(2-butoxy-5-nitrophenyl)-4-methylpiperazine; sulfuric acid Traditional Name: 1-(2-butoxy-5-nitro-phenyl)-4-methyl-piperazine; sulfuric acid Formula: C15H25N3O7S MolecularWeight: 391.4399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)[N+](=O)[O-])N2CCN(CC2)C.OS(=O)(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[N+](=O)[O-])N2CCN(CC2)C.OS(=O)(=O)O

InChI

InChI=1S/C15H23N3O3.H2O4S/c1-3-4-11-21-15-6-5-13(18(19)20)12-14(15)17-9-7-16(2)8-10-17;1-5(2,3)4/h5-6,12H,3-4,7-11H2,1-2H3;(H2,1,2,3,4)