2-(1-Ethylpyrrolidin-1-Ium-1-Yl)Ethyl 3,4,5-Trimethoxybenzoate 4-Methylbenzenesulfonate
[CAS# 3612-98-4]

Identification

• Name: 2-(1-Ethylpyrrolidin-1-Ium-1-Yl)Ethyl 3,4,5-Trimethoxybenzoate 4-Methylbenzenesulfonate
• Synonyms: 4-Methylbenzenesulfonate; 3,4,5-Trimethoxybenzoic Acid 2-(1-Ethyl-1-Pyrrolidin-1-Iumyl)Ethyl Ester; 4-Methylbenzenesulfonate; 3,4,5-Trimethoxybenzoic Acid 2-(1-Ethylpyrrolidin-1-Ium-1-Yl)Ethyl Ester; 1-Ethyl-1-(2-Hydroxyethyl)Pyrrolidinium P-Toluenesulfonate 3,4,5-Trimethoxybenzoate
• Molecular Formula: C₂₅H₃₅NO₈S
• Molecular Weight: 509.61
• CAS Registry Number: 3612-98-4
• SMILES: C1=C(OC)C(=C(OC)C=C1C(OCC[N+]2(CC)CCCC2)=O)OC.C3=CC(=CC=C3C)[S]([O-])(=O)=O
• InChI: 1S/C18H28NO5.C7H8O3S/c1-5-19(8-6-7-9-19)10-11-24-18(20)14-12-15(21-2)17(23-4)16(13-14)22-3;1-6-2-4-7(5-3-6)11(8,9)10/h12-13H,5-11H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: JSALPWQBJBMBAG-UHFFFAOYSA-M