5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]furan-2-carboxylate

Systemtic Name: 5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]furan-2-carboxylate Openeye Name: 5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]furan-2-carboxylate CAS Name: 5-[3-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]phenyl]-2-furancarboxylate IUPAC Name: 5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]furan-2-carboxylate Traditional Name: 5-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]-2-furoate Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C2=CC=C(O2)C(=O)[O-])[NH+]3CCCC3

Isomeric SMILES

C[C@@H](C1=CC=CC(=C1)C2=CC=C(O2)C(=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C17H19NO3/c1-12(18-9-2-3-10-18)13-5-4-6-14(11-13)15-7-8-16(21-15)17(19)20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,20)/t12-/m0/s1