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

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(isoquinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(5-isoquinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(5-isoquinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(isoquinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(5-isoquinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C23H27FN3O+ MolecularWeight: 380.478383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CC3=C2C=CN=C3)CCO)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CC3=C2C=CN=C3)CCO)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O/c24-21-6-4-18(5-7-21)15-27-12-11-26(17-22(27)9-13-28)16-20-3-1-2-19-14-25-10-8-23(19)20/h1-8,10,14,22,28H,9,11-13,15-17H2/p+1/t22-/m0/s1