5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-furoate Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O3/c20-17(21)16-7-6-15(22-16)13-19-10-8-18(9-11-19)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,20,21)