2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide CAS Name: 2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-quinolin-5-ylacetamide Traditional Name: 2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)CC4=CC=CC=N4

InChI

InChI=1S/C21H23N5O/c27-21(24-20-8-3-7-19-18(20)6-4-10-23-19)16-26-13-11-25(12-14-26)15-17-5-1-2-9-22-17/h1-10H,11-16H2,(H,24,27)/p+1