(2R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-[[2-(1-pyrazolylmethyl)phenyl]methyl]-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[2-(pyrazol-1-ylmethyl)benzyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C26H29N6O+ MolecularWeight: 441.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC=C4CN5C=CC=N5

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC=C4CN5C=CC=N5

InChI

InChI=1S/C26H28N6O/c33-26(29-23-10-12-24(13-11-23)32-18-6-15-28-32)25-9-3-4-16-30(25)19-21-7-1-2-8-22(21)20-31-17-5-14-27-31/h1-2,5-8,10-15,17-18,25H,3-4,9,16,19-20H2,(H,29,33)/p+1/t25-/m1/s1