2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(5-quinoxalinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C22H26FN4O+ MolecularWeight: 381.466443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=C3C(=CC=C2)N=CC=N3)CCO)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=C3C(=CC=C2)N=CC=N3)CCO)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4O/c23-19-6-4-17(5-7-19)14-27-12-11-26(16-20(27)8-13-28)15-18-2-1-3-21-22(18)25-10-9-24-21/h1-7,9-10,20,28H,8,11-16H2/p+1/t20-/m0/s1