Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H24N2O2/c24-21(22-18-9-2-1-3-10-18)25-20-11-6-12-23(15-20)19-13-16-7-4-5-8-17(16)14-19/h1-5,7-10,19-20H,6,11-15H2,(H,22,24)/p+1/t20-/m0/s1 |
InChIKey | InChI | 1.03 | ISMYNYFEVMBAEI-FQEVSTJZSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccccc1)O[C@H]2CCC[NH+](C2)C3Cc4ccccc4C3 |
SMILES | CACTVS | 3.385 | O=C(Nc1ccccc1)O[CH]2CCC[NH+](C2)C3Cc4ccccc4C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4ccccc4C3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)OC2CCC[NH+](C2)C3Cc4ccccc4C3 |