(3S)-N-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

Systemtic Name: (3S)-N-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C22H28N7O2+ MolecularWeight: 422.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3CCOC3)CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

C1COC[C@H]1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C22H27N7O2/c30-21(17-7-14-31-16-17)26-20-4-10-25-29(20)18-5-12-27(13-6-18)15-19-3-1-11-28(19)22-23-8-2-9-24-22/h1-4,8-11,17-18H,5-7,12-16H2,(H,26,30)/p+1/t17-/m0/s1