種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C28H27N2O4/c1-31-24-7-6-20-21(5-3-4-18-8-11-29-12-9-18)27-22-15-26-25(33-17-34-26)14-19(22)10-13-30(27)16-23(20)28(24)32-2/h6-9,11-12,14-16H,3-5,10,13,17H2,1-2H3/q+1 |
InChIKey | InChI | 1.03 | QVKHJFYKHMGTFF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2c(CCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC |
SMILES | CACTVS | 3.385 | COc1ccc2c(CCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5cc6c(cc5CC3)OCO6 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5cc6c(cc5CC3)OCO6 |