H82
3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
Find entries where: H82
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide |
| Identifiers | 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide |
| Formula | C28 H29 F3 N5 O4 |
| Molecular Weight | 556.556 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F |
| InChI | InChI=1S/C28H28F3N5O4/c1-36-12-10-18(11-13-36)33-25(38)17-6-8-20(23(14-17)39-2)34-27-32-15-19(28(29,30)31)26(35-27)40-22-5-3-4-16-7-9-21(37)24(16)22/h3-6,8,14-15,18H,7,9-13H2,1-2H3,(H,33,38)(H,32,34,35)/p+1 |
| InChIKey | QUSSZSMDFABHLI-UHFFFAOYSA-O |
Chemical Details | |
|---|---|
| Formal Charge | 1 |
| Atom Count | 69 |
| Chiral Atom Count | 0 |
| Bond Count | 73 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 137332108 |
