RefChem:373383

[1-(1,3-dioxolan-2-ylmethyl)-1-methylpiperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate bromide

Also Known As: trans-1-(1,3-Dioxolan-2-ylmethyl)-1-methyl-4-(xanthene-9-carbonyloxy)piperidinium bromide|Piperidinium, 1-(1,3-dioxolan-2-ylmethyl)-1-methyl-4-((9H-xanthen-9-ylcarbonyl)oxy)-, bromide, trans-|[1- -1-methyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl]9H-xanthene-9-carboxylatebromide|[1-(1,3-dioxolan-2-ylmethyl)-1-methylpiperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate bromide|[1-(1,3-dioxolan-2-ylmethyl)-1-methylpiperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate,bromide|1-[(1,3-Dioxolan-2-yl)methyl]-1-methyl-4-[(9H-xanthene-9-carbonyl)oxy]piperidin-1-ium bromide

Molecular Formula	C24H28BrNO5
Molecular Weight	489.11508 g/mol
LogP	0.4533
Topological Polar Surface Area	53.99 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	489.11508
Monoisotopic Mass	489.11508
Heavy Atoms	31
Complexity	876.1906

Chemical Identifiers

CAS Number	79708-72-8
SMILES	C[N+]1(CCC(CC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5OCCO5.[Br-]