2-phenyl-N-[2-[1-(quinolin-8-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: 2-phenyl-N-[2-[1-(quinolin-8-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: 2-phenyl-N-[2-[1-(8-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: 2-phenyl-N-[2-[1-(8-quinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: 2-phenyl-N-[2-[1-(quinolin-8-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: 2-phenyl-N-[2-[1-(8-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H27N5O/c32-25(18-20-6-2-1-3-7-20)29-24-11-15-28-31(24)23-12-16-30(17-13-23)19-22-9-4-8-21-10-5-14-27-26(21)22/h1-11,14-15,23H,12-13,16-19H2,(H,29,32)/p+1