N-methyl-3-(2-nitroimidazol-1-yl)-N-[3-(2-nitroimidazol-1-yl)propyl]propan-1-amine; sulfuric acid

Systemtic Name: N-methyl-3-(2-nitroimidazol-1-yl)-N-[3-(2-nitroimidazol-1-yl)propyl]propan-1-amine; sulfuric acid Openeye Name: N-methyl-3-(2-nitroimidazol-1-yl)-N-[3-(2-nitroimidazol-1-yl)propyl]propan-1-amine; sulfuric acid CAS Name: N-methyl-3-(2-nitro-1-imidazolyl)-N-[3-(2-nitro-1-imidazolyl)propyl]-1-propanamine; sulfuric acid IUPAC Name: N-methyl-3-(2-nitroimidazol-1-yl)-N-[3-(2-nitroimidazol-1-yl)propyl]propan-1-amine; sulfuric acid Traditional Name: methyl-bis[3-(2-nitroimidazol-1-yl)propyl]amine; sulfuric acid Formula: C13H21N7O8S MolecularWeight: 435.41294

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1C=CN=C1[N+](=O)[O-])CCCN2C=CN=C2[N+](=O)[O-].OS(=O)(=O)O

Isomeric SMILES

CN(CCCN1C=CN=C1[N+](=O)[O-])CCCN2C=CN=C2[N+](=O)[O-].OS(=O)(=O)O

InChI

InChI=1S/C13H19N7O4.H2O4S/c1-16(6-2-8-17-10-4-14-12(17)19(21)22)7-3-9-18-11-5-15-13(18)20(23)24;1-5(2,3)4/h4-5,10-11H,2-3,6-9H2,1H3;(H2,1,2,3,4)