(2R)-N-(4-pyrazol-1-ylphenyl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(1-pyrazolyl)phenyl]-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-2-carboxamide Formula: C25H27N6O+ MolecularWeight: 427.52148

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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=CN4C5=CC=CC=N5

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C25H26N6O/c32-25(28-20-10-12-21(13-11-20)31-18-6-15-27-31)23-8-2-4-16-29(23)19-22-7-5-17-30(22)24-9-1-3-14-26-24/h1,3,5-7,9-15,17-18,23H,2,4,8,16,19H2,(H,28,32)/p+1/t23-/m1/s1