1-methyl-1-[4-(2-nitroimidazol-1-yl)butyl]piperidin-1-ium iodide

Systemtic Name: 1-methyl-1-[4-(2-nitroimidazol-1-yl)butyl]piperidin-1-ium iodide Openeye Name: 1-methyl-1-[4-(2-nitroimidazol-1-yl)butyl]piperidin-1-ium iodide CAS Name: 1-methyl-1-[4-(2-nitro-1-imidazolyl)butyl]piperidin-1-ium iodide IUPAC Name: 1-methyl-1-[4-(2-nitroimidazol-1-yl)butyl]piperidin-1-ium iodide Traditional Name: 1-methyl-1-[4-(2-nitroimidazol-1-yl)butyl]piperidin-1-ium iodide Formula: C13H23IN4O2 MolecularWeight: 394.25179

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCCN2C=CN=C2[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCCN2C=CN=C2[N+](=O)[O-].[I-]

InChI

InChI=1S/C13H23N4O2.HI/c1-17(10-4-2-5-11-17)12-6-3-8-15-9-7-14-13(15)16(18)19;/h7,9H,2-6,8,10-12H2,1H3;1H/q+1;/p-1