2-(2,4-dimethylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC[NH+]4CCCCC4)C

InChI

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