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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C24H27FN3O2+ MolecularWeight: 408.488483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCCC(C3)C(=O)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C24H26FN3O2/c1-27-14-20(23(26-27)17-7-4-3-5-8-17)16-28-12-6-9-19(15-28)24(29)18-10-11-22(30-2)21(25)13-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15-16H2,1-2H3/p+1/t19-/m0/s1