CHEBI:135683 - pentacynium chloride

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ChEBI Name pentacynium chloride ChEBI ID CHEBI:135683 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 C27H39N3O Net Charge +2 Average Mass 421.619 Monoisotopic Mass 421.30822 InChI InChI=1S/C27H39N3O/c1-29(2,18-19-30(3)20-22-31-23-21-30)17-11-10-16-27(24-28,25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15H,10-11,16-23H2,1-3H3/q+2 InChIKey GKPFBMQXTRZTOW-UHFFFAOYSA-N SMILES C(CCCC[N+](CC[N+]1(C)CCOCC1)(C)C)(C#N)(C2=CC=CC=C2)C3=CC=CC=C3 ChEBI Ontology Outgoing pentacynium chloride (CHEBI:135683) is a quaternary ammonium ion (CHEBI:35267) Synonym Source presidal DrugCentral Manual Xref Database 3806 DrugCentral View more database links Registry Number Type Source 77-12-3 CAS Registry Number DrugCentral Last Modified 26 February 2024