N-[[(3R)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Openeye Name: N-[[(3R)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide CAS Name: N-[[(3R)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]methyl]-1H-indazole-3-carboxamide IUPAC Name: N-[[(3R)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Traditional Name: N-[[(3R)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Formula: C23H26N7O+ MolecularWeight: 416.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)CNC(=O)C4=NNC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)CNC(=O)C4=NNC5=CC=CC=C54

InChI

InChI=1S/C23H25N7O/c31-22(21-19-8-1-2-9-20(19)27-28-21)26-14-17-6-3-12-29(15-17)16-18-7-4-13-30(18)23-24-10-5-11-25-23/h1-2,4-5,7-11,13,17H,3,6,12,14-16H2,(H,26,31)(H,27,28)/p+1/t17-/m1/s1