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

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C20H24FN4O3+ MolecularWeight: 387.427963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4O3/c1-14-13-18(25(27)28)7-8-19(14)22-20(26)15(2)23-9-11-24(12-10-23)17-5-3-16(21)4-6-17/h3-8,13,15H,9-12H2,1-2H3,(H,22,26)/p+1/t15-/m0/s1