1-[1-(3-phenylprop-2-ynyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(3-phenylprop-2-ynyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(3-phenylprop-2-ynyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(3-phenylprop-2-ynyl)-4-piperidinyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(3-phenylprop-2-ynyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(3-phenylprop-2-ynyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=N2)C3CCN(CC3)CC#CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=N2)C3CCN(CC3)CC#CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O/c31-26(28-21-24-10-4-5-15-27-24)23-11-19-30(20-12-23)25-13-17-29(18-14-25)16-6-9-22-7-2-1-3-8-22/h1-5,7-8,10,15,23,25H,11-14,16-21H2,(H,28,31)/p+1