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

Systemtic Name: N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O/c26-20(17-5-1-2-6-17)23-19-7-11-22-25(19)18-8-12-24(13-9-18)15-16-4-3-10-21-14-16/h3-4,7,10-11,14,17-18H,1-2,5-6,8-9,12-13,15H2,(H,23,26)/p+1