N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitrobenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzamide Formula: C20H24FN4O3+ MolecularWeight: 387.427963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4O3/c1-23-10-12-24(13-11-23)19(15-2-6-17(21)7-3-15)14-22-20(26)16-4-8-18(9-5-16)25(27)28/h2-9,19H,10-14H2,1H3,(H,22,26)/p+1/t19-/m1/s1