2-[(2S)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-fluoro-4-methoxy-phenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-fluoro-4-methoxy-benzyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C22H37FN3O2+ MolecularWeight: 394.546483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C22H36FN3O2/c1-17(2)25-9-6-19(7-10-25)26-12-11-24(16-20(26)8-13-27)15-18-4-5-21(28-3)14-22(18)23/h4-5,14,17,19-20,27H,6-13,15-16H2,1-3H3/p+1/t20-/m0/s1