(4-fluorophenyl)-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C20H21FN5O3+ MolecularWeight: 398.410843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN5O3/c1-23-18-7-6-16(26(28)29)12-17(18)22-19(23)13-24-8-10-25(11-9-24)20(27)14-2-4-15(21)5-3-14/h2-7,12H,8-11,13H2,1H3/p+1