3-(4-quinoxalin-2-ylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: 3-(4-quinoxalin-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: 3-(4-quinoxalin-2-ylpiperazin-1-ium-1-yl)propanoate CAS Name: 3-[4-(2-quinoxalinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-(4-quinoxalin-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: 3-(4-quinoxalin-2-ylpiperazin-1-ium-1-yl)propionate Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)[O-])C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)[O-])C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C15H18N4O2/c20-15(21)5-6-18-7-9-19(10-8-18)14-11-16-12-3-1-2-4-13(12)17-14/h1-4,11H,5-10H2,(H,20,21)