5-chloranyl-1-(4-fluorophenyl)-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-1-(4-fluorophenyl)-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C24H27ClFN4O+ MolecularWeight: 441.948783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26ClFN4O/c1-17-22(23(25)30(28-17)21-11-9-20(26)10-12-21)24(31)27-15-18-7-3-4-8-19(18)16-29-13-5-2-6-14-29/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,27,31)/p+1