1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium

Systemtic Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Openeye Name: 1-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium CAS Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolyl]methyl]-4-methoxypiperidin-1-ium IUPAC Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-methoxypiperidin-1-ium Traditional Name: 1-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Formula: C23H27FN3O+ MolecularWeight: 380.478383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCC(CC4)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCC(CC4)OC

InChI

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