Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O1c3c(OC1)c2c[n+]6c(cc2cc3)c5cc4OCOc4cc5CC6 |
InChI | InChI | 1.03 | InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 |
InChIKey | InChI | 1.03 | XYHOBCMEDLZUMP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1 |
SMILES | CACTVS | 3.370 | C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2 |