Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(CCc1ccc(cc1)[N+](C\C=C)(C)C)CCc2ccc(cc2)[N+](C)(C\C=C)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 |
SMILES | CACTVS | 3.341 | C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C |
SMILES | OpenEye OEToolkits | 1.5.0 | C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C |
InChI | InChI | 1.03 | InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 |
InChIKey | InChI | 1.03 | ZAEXMNKDGJNLTA-UHFFFAOYSA-N |