A1D5Z
Summary
| Name: | (1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol |
| Formula: | C19 H24 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 328.472 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m1/s1 |
| InChIKey | InChI | 1.06 | ZIJWCRNUEBJMSQ-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1 |
| SMILES | CACTVS | 3.385 | C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C)O |
