Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCCC(=O)Nc1ccc(cc1)CC[N+]2(CCCCC2)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[N+]1(CCCCC1)CCc2ccc(NC(=O)CCCC(O)=O)cc2 |
SMILES | CACTVS | 3.341 | C[N+]1(CCCCC1)CCc2ccc(NC(=O)CCCC(O)=O)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H28N2O3/c1-21(13-3-2-4-14-21)15-12-16-8-10-17(11-9-16)20-18(22)6-5-7-19(23)24/h8-11H,2-7,12-15H2,1H3,(H-,20,22,23,24)/p+1 |
InChIKey | InChI | 1.03 | OKJUVEGXNINONS-UHFFFAOYSA-O |