Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2ccccc2)C1 |
InChI | InChI | 1.06 | InChI=1S/C18H21N3O3/c22-13-15-6-7-16(10-18(15)21(23)24)19-17-8-9-20(12-17)11-14-4-2-1-3-5-14/h1-7,10,17,19,22H,8-9,11-13H2/t17-/m1/s1 |
InChIKey | InChI | 1.06 | BWQQLSMUSJPPCM-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc(N[C@@H]2CCN(C2)Cc3ccccc3)cc1[N+]([O-])=O |
SMILES | CACTVS | 3.385 | OCc1ccc(N[CH]2CCN(C2)Cc3ccccc3)cc1[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2CC[C@H](C2)Nc3ccc(c(c3)[N+](=O)[O-])CO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2CCC(C2)Nc3ccc(c(c3)[N+](=O)[O-])CO |