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

Systemtic Name: 2-[[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-3-methoxy-phenol Openeye Name: 2-[[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-3-methoxy-phenol CAS Name: 2-[[(3S)-3-[5-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]-3-methoxyphenol IUPAC Name: 2-[[(3S)-3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-3-methoxyphenol Traditional Name: 2-[[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-3-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=C(C=CC=C3OC)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC=C(C(=N1)[C@H]2CCC[NH+](C2)CC3=C(C=CC=C3OC)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O2/c1-16-26-13-20(17-8-10-19(25)11-9-17)24(27-16)18-5-4-12-28(14-18)15-21-22(29)6-3-7-23(21)30-2/h3,6-11,13,18,29H,4-5,12,14-15H2,1-2H3/p+1/t18-/m0/s1