3,5-dimethyl-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-phenyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-1-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

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