butyl-[2-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]-phenyl-(phenylcarbonyl)azanium

Systemtic Name: butyl-[2-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]-phenyl-(phenylcarbonyl)azanium Openeye Name: benzoyl-butyl-[2-(4-hydroxy-4-oxo-butyl)phenyl]-phenyl-ammonium CAS Name: benzoyl-butyl-[2-(4-hydroxy-4-oxobutyl)phenyl]-phenylammonium IUPAC Name: benzoyl-butyl-[2-(4-hydroxy-4-oxobutyl)phenyl]-phenylazanium Traditional Name: benzoyl-butyl-[2-(4-hydroxy-4-keto-butyl)phenyl]-phenyl-ammonium Formula: C27H30NO3+ MolecularWeight: 416.532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C1=CC=CC=C1)(C2=CC=CC=C2CCCC(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC[N+](C1=CC=CC=C1)(C2=CC=CC=C2CCCC(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H29NO3/c1-2-3-21-28(24-17-8-5-9-18-24,27(31)23-14-6-4-7-15-23)25-19-11-10-13-22(25)16-12-20-26(29)30/h4-11,13-15,17-19H,2-3,12,16,20-21H2,1H3/p+1