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

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(isoquinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(5-isoquinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(5-isoquinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(isoquinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-(5-isoquinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C24H29FN3O2+ MolecularWeight: 410.504363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=CC4=C3C=CN=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC4=C3C=CN=C4)F

InChI

InChI=1S/C24H28FN3O2/c1-30-22-6-5-20(24(25)13-22)16-28-11-10-27(17-21(28)8-12-29)15-19-4-2-3-18-14-26-9-7-23(18)19/h2-7,9,13-14,21,29H,8,10-12,15-17H2,1H3/p+1/t21-/m0/s1