4-[4-(1-oxidanidylpyrrolidin-1-ium-1-yl)phenyl]benzoic acid

Systemtic Name: 4-[4-(1-oxidanidylpyrrolidin-1-ium-1-yl)phenyl]benzoic acid Openeye Name: 4-[4-(1-oxidopyrrolidin-1-ium-1-yl)phenyl]benzoic acid CAS Name: 4-[4-(1-oxido-1-pyrrolidin-1-iumyl)phenyl]benzoic acid IUPAC Name: 4-[4-(1-oxidopyrrolidin-1-ium-1-yl)phenyl]benzoic acid Traditional Name: 4-[4-(1-oxidopyrrolidin-1-ium-1-yl)phenyl]benzoic acid Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)[O-]

Isomeric SMILES

C1CC[N+](C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)[O-]

InChI

InChI=1S/C17H17NO3/c19-17(20)15-5-3-13(4-6-15)14-7-9-16(10-8-14)18(21)11-1-2-12-18/h3-10H,1-2,11-12H2,(H,19,20)