(5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]methanone Formula: C23H25FN3O2+ MolecularWeight: 394.461903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C23H24FN3O2/c1-29-22-9-8-19(24)14-21(22)23(28)18-6-3-11-26(16-18)15-17-5-2-7-20(13-17)27-12-4-10-25-27/h2,4-5,7-10,12-14,18H,3,6,11,15-16H2,1H3/p+1/t18-/m0/s1