N-[3-(1H-pyrazol-5-yl)phenyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C25H27N6O+ MolecularWeight: 427.52148

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CC=CN4C5=CC=CC=N5

InChI

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