5-[[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 5-[[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-[[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-[[(3S)-3-[5-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-[[(3S)-3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-[[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C24H27FN3O2+ MolecularWeight: 408.488483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC=C(C(=N1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O2/c1-16-26-13-21(18-6-8-20(25)9-7-18)24(27-16)19-4-3-11-28(15-19)14-17-5-10-23(30-2)22(29)12-17/h5-10,12-13,19,29H,3-4,11,14-15H2,1-2H3/p+1/t19-/m0/s1