N-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethyl-piperidin-1-ium-4-amine

Systemtic Name: N-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethyl-piperidin-1-ium-4-amine Openeye Name: N-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]-N,1-dimethyl-piperidin-1-ium-4-amine CAS Name: N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl]-N,1-dimethyl-4-piperidin-1-iumamine IUPAC Name: N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpiperidin-1-ium-4-amine Traditional Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C25H32FN4O+ MolecularWeight: 423.546183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)CN(C)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)CN(C)C4CC[NH+](CC4)C

InChI

InChI=1S/C25H31FN4O/c1-18-7-5-6-8-23(18)30-17-20(16-29(3)21-11-13-28(2)14-12-21)25(27-30)19-9-10-24(31-4)22(26)15-19/h5-10,15,17,21H,11-14,16H2,1-4H3/p+1