1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: 1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 1-(2-fluoro-4-methoxy-benzyl)-4-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C23H27FN3O+ MolecularWeight: 380.478383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=C(C=C(C=C4)OC)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=C(C=C(C=C4)OC)F

InChI

InChI=1S/C23H26FN3O/c1-16-4-3-5-18(12-16)21-14-25-26-23(21)17-8-10-27(11-9-17)15-19-6-7-20(28-2)13-22(19)24/h3-7,12-14,17H,8-11,15H2,1-2H3,(H,25,26)/p+1