5-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-thiazolyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]-2-furoate Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])C3=NC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])C3=NC=CS3

InChI

InChI=1S/C13H15N3O3S/c17-12(18)11-2-1-10(19-11)9-15-4-6-16(7-5-15)13-14-3-8-20-13/h1-3,8H,4-7,9H2,(H,17,18)