5-methyl-1,3-diphenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-4-carboxamide Openeye Name: 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-4-carboxamide CAS Name: 5-methyl-1,3-diphenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-4-carboxamide Traditional Name: 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-19-22(24(29)25-15-18-27-16-9-4-10-17-27)23(20-11-5-2-6-12-20)26-28(19)21-13-7-3-8-14-21/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H,25,29)/p+1