1-butyl-1-oxidanidyl-2H-quinolin-1-ium-4-carboxylic acid

Systemtic Name: 1-butyl-1-oxidanidyl-2H-quinolin-1-ium-4-carboxylic acid Openeye Name: 1-butyl-1-oxido-2H-quinolin-1-ium-4-carboxylic acid CAS Name: 1-butyl-1-oxido-2H-quinolin-1-ium-4-carboxylic acid IUPAC Name: 1-butyl-1-oxido-2H-quinolin-1-ium-4-carboxylic acid Traditional Name: 1-butyl-1-oxido-2H-quinolin-1-ium-4-carboxylic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC=C(C2=CC=CC=C21)C(=O)O)[O-]

Isomeric SMILES

CCCC[N+]1(CC=C(C2=CC=CC=C21)C(=O)O)[O-]

InChI

InChI=1S/C14H17NO3/c1-2-3-9-15(18)10-8-12(14(16)17)11-6-4-5-7-13(11)15/h4-8H,2-3,9-10H2,1H3,(H,16,17)