Pentacynium Chloride
[CAS# 77-12-3]

Identification

• Name: Pentacynium Chloride
• Synonyms: Chloromethane; 6-[Methyl-[2-(4-Methylmorpholin-4-Ium-4-Yl)Ethyl]Amino]-2,2-Diphenyl-Hexanenitrile; Chloride; Chloromethane; 6-[Methyl-[2-(4-Methyl-4-Morpholin-4-Iumyl)Ethyl]Amino]-2,2-Diphenylhexanenitrile; Chloride
• Molecular Formula: C₂₇H₃₉Cl₂N₃O
• Molecular Weight: 492.53
• CAS Registry Number: 77-12-3
• SMILES: C1=CC=CC=C1C(CCCCN(CC[N+]2(CCOCC2)C)C)(C3=CC=CC=C3)C#N.CCl.[Cl-]
• InChI: 1S/C26H36N3O.CH3Cl.ClH/c1-28(17-18-29(2)19-21-30-22-20-29)16-10-9-15-26(23-27,24-11-5-3-6-12-24)25-13-7-4-8-14-25;1-2;/h3-8,11-14H,9-10,15-22H2,1-2H3;1H3;1H/q+1;;/p-1
• InChIKey: XSHMERUFTMTCBO-UHFFFAOYSA-M