2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-quinolin-5-yl-ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(5-quinolyl)acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-quinolin-5-ylacetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(5-quinolyl)acetamide Formula: C20H23N5O+2 MolecularWeight: 349.42952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N5O/c26-20(23-18-7-3-6-17-16(18)5-4-10-21-17)15-24-11-13-25(14-12-24)19-8-1-2-9-22-19/h1-10H,11-15H2,(H,23,26)/p+2