Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c2ccc(Nc1cc(O)cc(OC)c1)cc2)Nc3ccc4c(c3)C[NH2+]CC4 |
InChI | InChI | 1.03 | InChI=1S/C23H23N3O3/c1-29-22-12-20(11-21(27)13-22)25-18-5-3-16(4-6-18)23(28)26-19-7-2-15-8-9-24-14-17(15)10-19/h2-7,10-13,24-25,27H,8-9,14H2,1H3,(H,26,28)/p+1 |
InChIKey | InChI | 1.03 | IVDJYLJJRBVWIX-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(O)cc(Nc2ccc(cc2)C(=O)Nc3ccc4CC[NH2+]Cc4c3)c1 |
SMILES | CACTVS | 3.385 | COc1cc(O)cc(Nc2ccc(cc2)C(=O)Nc3ccc4CC[NH2+]Cc4c3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1)O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)C[NH2+]CC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1)O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)C[NH2+]CC4 |