[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-3-nitro-phenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-fluoro-3-nitro-phenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(4-fluoro-3-nitrophenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-fluoro-3-nitrophenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-fluoro-3-nitro-phenyl)methanone Formula: C24H23FN3O3+ MolecularWeight: 420.456123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O3/c25-21-12-11-20(17-22(21)28(30)31)24(29)27-15-13-26(14-16-27)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2/p+1