Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c5ccc1OCOc1c5c[n+]3CCc4c(c23)cc(c(c4)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 |
InChIKey | InChI | 1.03 | FPJQGFLUORYYPE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CC[n+]3cc4c(ccc5OCOc45)cc3c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2CC[n+]3cc4c(ccc5OCOc45)cc3c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1OC)-c3cc4ccc5c(c4c[n+]3CC2)OCO5 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1OC)-c3cc4ccc5c(c4c[n+]3CC2)OCO5 |