5-(4-fluorophenyl)-2-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 5-(4-fluorophenyl)-2-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-(4-fluorophenyl)-2-(m-tolyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 5-(4-fluorophenyl)-2-(3-methylphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 5-(4-fluorophenyl)-2-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-(4-fluorophenyl)-2-(m-tolyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O/c1-18-6-5-7-21(16-18)29-23(17-22(27-29)19-8-10-20(25)11-9-19)24(30)26-12-15-28-13-3-2-4-14-28/h5-11,16-17H,2-4,12-15H2,1H3,(H,26,30)/p+1