2-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-(3-fluoroanilino)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]phenol Formula: C18H22FN2O+ MolecularWeight: 301.378483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C18H21FN2O/c19-15-6-3-7-16(11-15)20-17-8-4-10-21(13-17)12-14-5-1-2-9-18(14)22/h1-3,5-7,9,11,17,20,22H,4,8,10,12-13H2/p+1/t17-/m0/s1