(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Openeye Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide CAS Name: (2S)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-N-(3-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Traditional Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propionamide Formula: C19H22FN4O3+ MolecularWeight: 373.401383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H21FN4O3/c1-14(19(25)21-15-5-4-6-16(13-15)24(26)27)22-9-11-23(12-10-22)18-8-3-2-7-17(18)20/h2-8,13-14H,9-12H2,1H3,(H,21,25)/p+1/t14-/m0/s1