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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)NC3=CC(=CC=C3)F)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)NC3=CC(=CC=C3)F)O

InChI

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