SYT
Summary
| Name: | (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium |
| Formula: | C20 H20 N O4 |
| Formal charge: | 1 |
| Formula weight: | 338.377 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C[N+]34Cc2c1c(OCO1)ccc2CC3c5c(CC4)cc6c(c5)OCO6 |
| InChI | InChI | 1.03 | InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1 |
| InChIKey | InChI | 1.03 | GBUUKFRQPCPYPW-KKSFZXQISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N@@+]12CCc3cc4OCOc4cc3[C@@H]1Cc5ccc6OCOc6c5C2 |
| SMILES | CACTVS | 3.385 | C[N+]12CCc3cc4OCOc4cc3[CH]1Cc5ccc6OCOc6c5C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc5ccc6c(c5C2)OCO6)OCO4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[N+]12CCc3cc4c(cc3C1Cc5ccc6c(c5C2)OCO6)OCO4 |
