1-[(4-fluorophenyl)methyl]-4-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]piperazin-1-ium

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]piperazin-1-ium Openeye Name: 1-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-fluorophenyl)methyl]-4-[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]piperazin-1-ium IUPAC Name: 1-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)-4-(4-fluorobenzyl)piperazin-4-ium Formula: C22H25FN5O2+ MolecularWeight: 410.464603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H24FN5O2/c1-17-24-21(28(29)30)22(27(17)16-18-5-3-2-4-6-18)26-13-11-25(12-14-26)15-19-7-9-20(23)10-8-19/h2-10H,11-16H2,1H3/p+1