4-[4-[3-(furan-2-yl)propyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 4-[4-[3-(furan-2-yl)propyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-[3-(2-furyl)propyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[3-(2-furanyl)propyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-[3-(furan-2-yl)propyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-[3-(2-furyl)propyl]piperazin-4-ium-1-yl]benzoate Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CO2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CO2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H22N2O3/c21-18(22)15-5-7-16(8-6-15)20-12-10-19(11-13-20)9-1-3-17-4-2-14-23-17/h2,4-8,14H,1,3,9-13H2,(H,21,22)