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

Systemtic Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O3/c1-14(19(25)21-17-4-2-3-5-18(17)24(26)27)22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,21,25)/p+1/t14-/m1/s1