1-(phenylmethyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c29-24(23-16-26-28(19-23)17-20-9-3-1-4-10-20)25-15-21-11-5-6-12-22(21)18-27-13-7-2-8-14-27/h1,3-6,9-12,16,19H,2,7-8,13-15,17-18H2,(H,25,29)/p+1