Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c4ccccc4C=1c3c(OC=2C=1C=C/C(=[N+](/CC)CC)C=2)cc(cc3)N(CC)CC |
InChI | InChI | 1.03 | InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1 |
InChIKey | InChI | 1.03 | CVAVMIODJQHEEH-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.370 | CCN(CC)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4C(O)=O)=[N+](CC)CC)c1 |
SMILES | CACTVS | 3.370 | CCN(CC)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4C(O)=O)=[N+](CC)CC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O |