N-[2-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-(5-isoquinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-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=C4C=CN=C5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC=CC5=C4C=CN=C5

InChI

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