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

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-3-nitro-benzaldehyde Formula: C18H19FN3O3+ MolecularWeight: 344.360163

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O3/c19-16-4-2-1-3-15(16)12-20-7-9-21(10-8-20)17-6-5-14(13-23)11-18(17)22(24)25/h1-6,11,13H,7-10,12H2/p+1