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

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-3-nitro-benzamide Formula: C24H24FN4O3+ MolecularWeight: 435.470763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN4O3/c25-23-7-2-1-4-19(23)17-27-12-14-28(15-13-27)21-10-8-20(9-11-21)26-24(30)18-5-3-6-22(16-18)29(31)32/h1-11,16H,12-15,17H2,(H,26,30)/p+1