N-[[(3R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[(3R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[(3R)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[(3R)-1-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-4-fluorobenzamide IUPAC Name: N-[[(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[(3R)-1-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]methyl]-4-fluoro-benzamide Formula: C25H30FN4O+ MolecularWeight: 421.530303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH+]3CCCC(C3)CNC(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H29FN4O/c1-18-13-19(2)23(24(14-18)30-12-4-10-28-30)17-29-11-3-5-20(16-29)15-27-25(31)21-6-8-22(26)9-7-21/h4,6-10,12-14,20H,3,5,11,15-17H2,1-2H3,(H,27,31)/p+1/t20-/m1/s1