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

Systemtic Name: (3S)-N-[2-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-(1H-indol-2-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3CCOC3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

C1COC[C@H]1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C22H27N5O2/c28-22(17-8-12-29-15-17)25-21-5-9-23-27(21)19-6-10-26(11-7-19)14-18-13-16-3-1-2-4-20(16)24-18/h1-5,9,13,17,19,24H,6-8,10-12,14-15H2,(H,25,28)/p+1/t17-/m0/s1