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

Systemtic Name: 5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-furoate Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c19-16(20)15-7-6-14(21-15)12-17-8-10-18(11-9-17)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,19,20)