2CK
Summary
Name: | 1,2,3,4-tetrahydroisoquinoline |
Formula: | C9 H11 N |
Formal charge: | 0 |
Formula weight: | 133.19 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1,2,3,4-tetrahydroisoquinoline |
OpenEye OEToolkits | 1.7.6 | 1,2,3,4-tetrahydroisoquinoline |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccc2c(c1)CNCC2 |
InChI | InChI | 1.03 | InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2 |
InChIKey | InChI | 1.03 | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1Cc2ccccc2CN1 |
SMILES | CACTVS | 3.385 | C1Cc2ccccc2CN1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCNC2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCNC2 |