3-[5-[(2-dimethylaminoethylazaniumyl)methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(2-dimethylaminoethylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(2-dimethylaminoethylammonio)methyl]-2-furyl]benzoate CAS Name: 3-[5-[(2-dimethylaminoethylammonio)methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(2-dimethylaminoethylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(2-dimethylaminoethylammonio)methyl]-2-furyl]benzoate Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]CC1=CC=C(O1)C2=CC(=CC=C2)C(=O)[O-]

Isomeric SMILES

CN(C)CC[NH2+]CC1=CC=C(O1)C2=CC(=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H20N2O3/c1-18(2)9-8-17-11-14-6-7-15(21-14)12-4-3-5-13(10-12)16(19)20/h3-7,10,17H,8-9,11H2,1-2H3,(H,19,20)