1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-methyl-5-nitro-4-imidazolyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-ium Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium Formula: C15H18ClFN5O2+ MolecularWeight: 354.787123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClFN5O2/c1-19-10-18-14(22(23)24)15(19)21-6-4-20(5-7-21)9-11-2-3-12(17)8-13(11)16/h2-3,8,10H,4-7,9H2,1H3/p+1