CHEBI:94725 - dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium ChEBI ID CHEBI:94725 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H42NO2 Net Charge +1 Average Mass 412.629 Monoisotopic Mass 412.32101 InChI InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1 InChIKey SIYLLGKDQZGJHK-UHFFFAOYSA-N SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2 ChEBI Ontology Outgoing dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium (CHEBI:94725) is a alkylbenzene (CHEBI:38976) Synonyms Sources benzethionium chloride DrugCentral benzethonium chloride DrugCentral benzetonium chloride DrugCentral Manual Xrefs Databases 3018 DrugCentral LSM-5804 LINCS View more database links Registry Number Type Source 121-54-0 CAS Registry Number DrugCentral Last Modified 22 February 2017