IVL
Summary
| Name: | 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium |
| Formula: | C9 H18 N O2 |
| Formal charge: | 1 |
| Formula weight: | 172.245 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-carboxypropyl)-1-methylpyrrolidinium |
| OpenEye OEToolkits | 1.9.2 | 4-(1-methylpyrrolidin-1-ium-1-yl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC[N+]1(CCCC1)C |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO2/c1-10(6-2-3-7-10)8-4-5-9(11)12/h2-8H2,1H3/p+1 |
| InChIKey | InChI | 1.03 | MXRVDXQFAGJLAO-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+]1(CCCC1)CCCC(O)=O |
| SMILES | CACTVS | 3.385 | C[N+]1(CCCC1)CCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[N+]1(CCCC1)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C[N+]1(CCCC1)CCCC(=O)O |
