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

Systemtic Name: 1-(phenylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(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=C(C=C2)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

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