Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-13-12-22-10-5-11-27(34)28(22)30-26)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3/p+1/t21-/m1/s1 |
InChIKey | InChI | 1.03 | JJYUCJIZTWRMMC-OAQYLSRUSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | C[NH+](C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(O)c5n4 |
SMILES | CACTVS | 3.385 | C[NH+](C)CCN(C[CH]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(O)c5n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[NH+](C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(c5n4)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C[NH+](C)CCN(CC1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(c5n4)O |