67360-99-0
N-(1-HYDROXY-2-NAPHTHYL)METHYL-N-METHYLPIPERIDINIUM BROMIDE DIMETHYLCARBAMATE
NameN-(1-HYDROXY-2-NAPHTHYL)METHYL-N-METHYLPIPERIDINIUM BROMIDE DIMETHYLCARBAMATE
pro_formulaC20 H27 N2 O2 . Br
1Identification
【Name】
N-(1-HYDROXY-2-NAPHTHYL)METHYL-N-METHYLPIPERIDINIUM BROMIDE DIMETHYLCARBAMATE
【CAS】
【MDL】
MFCD01699750
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H27 N2 O2 . Br
【pro_molWeight】
407.349
【Inchi】
InChI=1S/C20H27N2O2.BrH/c1-21(2)20(23)24-19-17(15-22(3)13-7-4-8-14-22)12-11-16-9-5-6-10-18(16)19;/h5-6,9-12H,4,7-8,13-15H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=YQKUXAIXQSWZNV-UHFFFAOYSA-M
【SMILES】
CN(C)C(=O)Oc1c(ccc2c1cccc2)C[N+]3(CCCCC3)C.[Br-]
【MOL File】
N-(1-HYDROXY-2-NAPHT….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(1-HYDROXY-2-NAPHTHYL)METHYL-N-METHYLPIPERIDINIUM BROMIDE DIMETHYLCARBAMATE.cml