TXU
Summary
| Name: | N-methylmyosmine |
| Formula: | C10 H12 N2 |
| Formal charge: | 0 |
| Formula weight: | 160.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3P)-3-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridine |
| OpenEye OEToolkits | 2.0.7 | 3-(1-methyl-2,3-dihydropyrrol-5-yl)pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN1CCC=C1c1cnccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3 |
| InChIKey | InChI | 1.06 | TVKHGXPZBZKXFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC=C1c2cccnc2 |
| SMILES | CACTVS | 3.385 | CN1CCC=C1c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCC=C1c2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC=C1c2cccnc2 |
