4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]-(3-nitrobenzyl)amine Formula: C24H26FN4O2+ MolecularWeight: 421.487243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C24H25FN4O2/c25-23-6-1-2-7-24(23)28-14-12-27(13-15-28)18-19-8-10-21(11-9-19)26-17-20-4-3-5-22(16-20)29(30)31/h1-11,16,26H,12-15,17-18H2/p+1