1-(diphenylmethyl)-4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-benzhydryl-4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-(4-fluoro-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-benzhydryl-4-(4-fluoro-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-benzhydryl-4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium Formula: C23H23FN3O2+ MolecularWeight: 392.446023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN3O2/c24-20-11-12-21(22(17-20)27(28)29)25-13-15-26(16-14-25)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2/p+1