2-(4-quinolin-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: 2-(4-quinolin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: 2-[4-(2-quinolyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(2-quinolinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-(4-quinolin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-[4-(2-quinolyl)piperazin-1-ium-1-yl]acetate Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C15H17N3O2/c19-15(20)11-17-7-9-18(10-8-17)14-6-5-12-3-1-2-4-13(12)16-14/h1-6H,7-11H2,(H,19,20)