(2S)-N-(2-fluorophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-fluorophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-fluorophenyl)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-fluorophenyl)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-fluorophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-fluorophenyl)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]propionamide Formula: C18H23FN3O2+ MolecularWeight: 332.392523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)[NH+]2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1F)[NH+]2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C18H22FN3O2/c1-14(18(23)20-17-7-3-2-6-16(17)19)22-10-8-21(9-11-22)13-15-5-4-12-24-15/h2-7,12,14H,8-11,13H2,1H3,(H,20,23)/p+1/t14-/m0/s1