14034-43-6
1-(((4-CARBOXY-3-HYDROXYPHENYL)CARBAMOYL)METHYL)-1-METHYLPIPERIDINIUM IODIDE ETHYL ESTER
Name1-(((4-CARBOXY-3-HYDROXYPHENYL)CARBAMOYL)METHYL)-1-METHYLPIPERIDINIUM IODIDE ETHYL ESTER
1Identification
【Name】
1-(((4-CARBOXY-3-HYDROXYPHENYL)CARBAMOYL)METHYL)-1-METHYLPIPERIDINIUM IODIDE ETHYL ESTER
【CAS】
【MDL】
MFCD01699978
【English Synonyms】
【Formula】
C17 H25 N2 O4 . I
【MolWeight】
448.294
【Inchi】
InChI=1S/C17H24N2O4.HI/c1-3-23-17(22)14-8-7-13(11-15(14)20)18-16(21)12-19(2)9-5-4-6-10-19;/h7-8,11H,3-6,9-10,12H2,1-2H3,(H-,18,20,21,22);1H
【InChIKey】
InChIKey=NYUUQFGVYOPLFC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1ccc(cc1O)NC(=O)C[N+]2(CCCCC2)C.[I-]
【MOL File】
1-(((4-CARBOXY-3-HYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(((4-CARBOXY-3-HYDROXYPHENYL)CARBAMOYL)METHYL)-1-METHYLPIPERIDINIUM IODIDE ETHYL ESTER.cml