3-(4-chlorophenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-pyrazole-5-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O/c23-18-8-6-17(7-9-18)20-14-21(26-25-20)22(28)24-19-10-12-27(13-11-19)15-16-4-2-1-3-5-16/h1-9,14,19H,10-13,15H2,(H,24,28)(H,25,26)/p+1