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

Systemtic Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(benzofurazan-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C21H26N6O2/c28-21(15-4-1-2-5-15)23-19-8-11-22-27(19)17-9-12-26(13-10-17)14-16-6-3-7-18-20(16)25-29-24-18/h3,6-8,11,15,17H,1-2,4-5,9-10,12-14H2,(H,23,28)/p+1