4-[[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]-2-methoxy-phenol

Systemtic Name: 4-[[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]-2-methoxy-phenol Openeye Name: 4-[[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]-2-methoxy-phenol CAS Name: 4-[[[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]amino]methyl]-2-methoxyphenol IUPAC Name: 4-[[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]-2-methoxyphenol Traditional Name: 4-[[[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]amino]methyl]-2-methoxy-phenol Formula: C20H26FN2O2+ MolecularWeight: 345.431043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2CCC[NH+](C2)CC3=CC=CC=C3F)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F)O

InChI

InChI=1S/C20H25FN2O2/c1-25-20-11-15(8-9-19(20)24)12-22-17-6-4-10-23(14-17)13-16-5-2-3-7-18(16)21/h2-3,5,7-9,11,17,22,24H,4,6,10,12-14H2,1H3/p+1/t17-/m0/s1