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 |