ASE
Summary
Name: | N-ACETYL SEROTONIN |
Formula: | C12 H14 N2 O2 |
Formal charge: | 0 |
Formula weight: | 218.252 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide |
OpenEye OEToolkits | 1.5.0 | N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCc2c1cc(O)ccc1nc2)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)NCCc1c[nH]c2ccc(O)cc12 |
SMILES | CACTVS | 3.341 | CC(=O)NCCc1c[nH]c2ccc(O)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)NCCc1c[nH]c2c1cc(cc2)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NCCc1c[nH]c2c1cc(cc2)O |
InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) |
InChIKey | InChI | 1.03 | MVAWJSIDNICKHF-UHFFFAOYSA-N |