2-ethoxy-6-[[(3S)-3-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-6-[[(3S)-3-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[(3S)-3-(4-fluoroanilino)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]methyl]phenol Formula: C20H26FN2O2+ MolecularWeight: 345.431043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN2O2/c1-2-25-19-7-3-5-15(20(19)24)13-23-12-4-6-18(14-23)22-17-10-8-16(21)9-11-17/h3,5,7-11,18,22,24H,2,4,6,12-14H2,1H3/p+1/t18-/m0/s1