Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3c1c2c(ccc1)cccc2C(=O)N3CCC[N+]45[Pt](NCC4)NCC5 |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O2.Pt/c20-8-12-22(13-9-21)10-3-11-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25;/h1-2,4-7,20-21H,3,8-13H2;/q-2;+3 |
InChIKey | InChI | 1.03 | WIRAZSMQYSTXQY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1N(CCCN2CCN[Pt]NCC2)C(=O)c3cccc4cccc1c34 |
SMILES | CACTVS | 3.385 | O=C1N(CCCN2CCN[Pt]NCC2)C(=O)c3cccc4cccc1c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CCN[Pt]4NCC5 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CCN[Pt]4NCC5 |