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

Systemtic Name: (3S)-N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-[(1-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C23H29N6O2+ MolecularWeight: 421.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3CCOC3)CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC[C@H]1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H28N6O2/c30-23(19-9-13-31-17-19)26-22-6-10-24-29(22)21-7-11-27(12-8-21)15-18-14-25-28(16-18)20-4-2-1-3-5-20/h1-6,10,14,16,19,21H,7-9,11-13,15,17H2,(H,26,30)/p+1/t19-/m0/s1