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

Systemtic Name: 1-methyl-1-[4-(2-nitroimidazol-1-yl)butyl]piperidin-1-ium Openeye Name: 1-methyl-1-[4-(2-nitroimidazol-1-yl)butyl]piperidin-1-ium CAS Name: 1-methyl-1-[4-(2-nitro-1-imidazolyl)butyl]piperidin-1-ium IUPAC Name: 1-methyl-1-[4-(2-nitroimidazol-1-yl)butyl]piperidin-1-ium Traditional Name: 1-methyl-1-[4-(2-nitroimidazol-1-yl)butyl]piperidin-1-ium Formula: C13H23N4O2+ MolecularWeight: 267.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N4O2/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/q+1