2-[(2S)-4-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-fluorobenzyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C19H31FN3O+ MolecularWeight: 336.467343

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC(=CC=C3)F

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H30FN3O/c1-21-8-5-18(6-9-21)23-11-10-22(15-19(23)7-12-24)14-16-3-2-4-17(20)13-16/h2-4,13,18-19,24H,5-12,14-15H2,1H3/p+1/t19-/m0/s1