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

Systemtic Name: N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-(2-benzofuranylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H28N4O2/c28-23(17-5-1-2-6-17)25-22-9-12-24-27(22)19-10-13-26(14-11-19)16-20-15-18-7-3-4-8-21(18)29-20/h3-4,7-9,12,15,17,19H,1-2,5-6,10-11,13-14,16H2,(H,25,28)/p+1