4-[4-(butylazaniumylidynemethyl)phenyl]benzoate

Systemtic Name: 4-[4-(butylazaniumylidynemethyl)phenyl]benzoate Openeye Name: 4-[4-(butylnitriliomethyl)phenyl]benzoate CAS Name: 4-[4-(butylnitriliomethyl)phenyl]benzoate IUPAC Name: 4-[4-(butylazaniumylidynemethyl)phenyl]benzoate Traditional Name: 4-[4-(butylnitriliomethyl)phenyl]benzoate Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCC[N+]#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H17NO2/c1-2-3-12-19-13-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(20)21/h4-11H,2-3,12H2,1H3