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

Systemtic Name: 2-chloranyl-N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzamide Formula: C20H23ClFN4O3+ MolecularWeight: 421.873023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN4O3/c1-24-8-10-25(11-9-24)19(14-2-4-15(22)5-3-14)13-23-20(27)17-7-6-16(26(28)29)12-18(17)21/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)/p+1/t19-/m1/s1