Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Oc1cccc2c1CCC2[N+](=C\C=C)\C)N(CC)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)\[N+](C)=C\C=C |
SMILES | CACTVS | 3.341 | CCN(C)C(=O)Oc1cccc2[CH](CCc12)[N+](C)=CC=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN(C)C(=O)Oc1cccc2c1CC[C@H]2/[N+](=C/C=C)/C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCN(C)C(=O)Oc1cccc2c1CCC2[N+](=CC=C)C |
InChI | InChI | 1.03 | InChI=1S/C17H23N2O2/c1-5-12-19(4)15-11-10-14-13(15)8-7-9-16(14)21-17(20)18(3)6-2/h5,7-9,12,15H,1,6,10-11H2,2-4H3/q+1/b19-12+/t15-/m1/s1 |
InChIKey | InChI | 1.03 | OETCNLZUDQXQBD-IYSPOMMRSA-N |