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

Systemtic Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C24H26N7O+ MolecularWeight: 428.50954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N7O/c32-23(28-20-5-1-4-19(16-20)22-7-12-27-29-22)18-8-14-30(15-9-18)17-21-6-2-13-31(21)24-25-10-3-11-26-24/h1-7,10-13,16,18H,8-9,14-15,17H2,(H,27,29)(H,28,32)/p+1