(3-fluoranyl-4-methoxy-phenyl)-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-(4-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)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)N4C=CC=N4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3O2/c1-29-22-10-7-18(14-21(22)24)23(28)19-4-2-12-26(16-19)15-17-5-8-20(9-6-17)27-13-3-11-25-27/h3,5-11,13-14,19H,2,4,12,15-16H2,1H3/p+1/t19-/m0/s1