3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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