J-113863 cation, trans-
2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
Also Known As: J-113863 cation, trans-|J-113863 cation, cis-|cis-j-113863 cation|trans-j-113863 cation|UCB 35625|NCGC00378662-01|NCGC00378716-01|J 113863|J-113863|Piperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-9-yl)carbonyl)amino)-1-ethyl-, cis-|Piperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-9-yl)carbonyl)amino)-1-ethyl-, trans-|2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
| Molecular Formula | C30H37Cl2N2O2+ |
|---|---|
| Molecular Weight | 527.2232 g/mol |
| LogP | 7.6269 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.2232 |
| Monoisotopic Mass | 527.2232 |
| Heavy Atoms | 36 |
| Complexity | 1086.2639 |
Chemical Identifiers
| CAS Number | 765882-14-2 |
|---|---|
| SMILES | CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)C/C/5=C/CCCCCC5 |
Product Overview
J-113863 cation, trans- (CAS 765882-14-2), with molecular formula C30H37Cl2N2O2+ and molecular weight 527.2232 g/mol. IUPAC: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide.
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