5-(phenylsulfanylmethyl)furan-2-carboxylate; piperazin-1-ium

Systemtic Name: 5-(phenylsulfanylmethyl)furan-2-carboxylate; piperazin-1-ium Openeye Name: 5-(phenylsulfanylmethyl)furan-2-carboxylate; piperazin-1-ium CAS Name: 5-[(phenylthio)methyl]-2-furancarboxylate; piperazin-1-ium IUPAC Name: 5-(phenylsulfanylmethyl)furan-2-carboxylate; piperazin-1-ium Traditional Name: 5-[(phenylthio)methyl]-2-furoate; piperazin-1-ium Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH2+]1.C1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1CNCC[NH2+]1.C1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C12H10O3S.C4H10N2/c13-12(14)11-7-6-9(15-11)8-16-10-4-2-1-3-5-10;1-2-6-4-3-5-1/h1-7H,8H2,(H,13,14);5-6H,1-4H2