Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O\N=C\c1cc[n+](cc1)CCC[n+]2ccc(\C=N\O)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | O\N=C\c1cc[n+](CCC[n+]2ccc(cc2)\C=N\O)cc1 |
SMILES | CACTVS | 3.341 | ON=Cc1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=NO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C=NO |
InChI | InChI | 1.03 | InChI=1S/C15H16N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-13H,1,6-7H2/p+2 |
InChIKey | InChI | 1.03 | LJYGXPCCGGSATE-UHFFFAOYSA-P |