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

Systemtic Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: 2-[4-(2-quinolin-1-iumyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetate Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C2=[NH+]C3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C2=[NH+]C3=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)/p+1