N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

Systemtic Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C21H27N6OS+ MolecularWeight: 411.54368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H26N6OS/c28-21(16-3-1-2-4-16)23-20-7-10-22-27(20)17-8-11-26(12-9-17)14-15-5-6-18-19(13-15)25-29-24-18/h5-7,10,13,16-17H,1-4,8-9,11-12,14H2,(H,23,28)/p+1