3-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide

Systemtic Name: 3-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide Openeye Name: 3-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide CAS Name: 3-[1-[[3-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-1-ium-4-yl]-N-phenylpropanamide Traditional Name: 3-[1-[3-(3,5-dimethylpyrazol-1-yl)benzyl]piperidin-1-ium-4-yl]-N-phenyl-propionamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C[NH+]3CCC(CC3)CCC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C[NH+]3CCC(CC3)CCC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O/c1-20-17-21(2)30(28-20)25-10-6-7-23(18-25)19-29-15-13-22(14-16-29)11-12-26(31)27-24-8-4-3-5-9-24/h3-10,17-18,22H,11-16,19H2,1-2H3,(H,27,31)/p+1