5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-furoate Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H17N3O3/c19-15(20)13-5-4-12(21-13)11-17-7-9-18(10-8-17)14-3-1-2-6-16-14/h1-6H,7-11H2,(H,19,20)/p+1