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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(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)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

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