(2-butyl-4-cyclohexyl-phenyl) 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: (2-butyl-4-cyclohexyl-phenyl) 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: (2-butyl-4-cyclohexyl-phenyl) 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid (2-butyl-4-cyclohexylphenyl) ester IUPAC Name: (2-butyl-4-cyclohexylphenyl) 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid (2-butyl-4-cyclohexyl-phenyl) ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C2CCCCC2)OC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C2CCCCC2)OC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H27NO3/c1-2-3-8-19-15-18(17-9-5-4-6-10-17)12-13-21(19)26-22(24)20-11-7-14-23(25)16-20/h7,11-17H,2-6,8-10H2,1H3