2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c1-19-24(20(2)29(27-19)23-11-7-4-8-12-23)17-25(30)26-22-13-15-28(16-14-22)18-21-9-5-3-6-10-21/h3-12,22H,13-18H2,1-2H3,(H,26,30)/p+1