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

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C20H27FN3O2+ MolecularWeight: 360.445683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C20H26FN3O2/c1-14(2)24-12-15(10-22-24)11-23-8-4-5-16(13-23)20(25)18-9-17(21)6-7-19(18)26-3/h6-7,9-10,12,14,16H,4-5,8,11,13H2,1-3H3/p+1/t16-/m0/s1