(5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-[4-(2-pyrimidyloxy)benzyl]piperidin-1-ium-3-yl]methanone Formula: C24H25FN3O3+ MolecularWeight: 422.472003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C24H24FN3O3/c1-30-22-10-7-19(25)14-21(22)23(29)18-4-2-13-28(16-18)15-17-5-8-20(9-6-17)31-24-26-11-3-12-27-24/h3,5-12,14,18H,2,4,13,15-16H2,1H3/p+1/t18-/m0/s1