[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone Formula: C24H23FN3O3+ MolecularWeight: 420.456123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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