UQL
Summary
| Name: | 2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-N,N-dimethyl-ethanamine |
| Synonyms: | ST1936 |
| Formula: | C13 H17 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 236.74 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3 |
| InChIKey | InChI | 1.06 | KSYMELKKLOFABL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12 |
| SMILES | CACTVS | 3.385 | CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cc(ccc2[nH]1)Cl)CCN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cc(ccc2[nH]1)Cl)CCN(C)C |
