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

Systemtic Name: (3S)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-(2-benzofuranylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3CCOC3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1COC[C@H]1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H26N4O3/c27-22(17-8-12-28-15-17)24-21-5-9-23-26(21)18-6-10-25(11-7-18)14-19-13-16-3-1-2-4-20(16)29-19/h1-5,9,13,17-18H,6-8,10-12,14-15H2,(H,24,27)/p+1/t17-/m0/s1