Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2/p+1 |
InChIKey | InChI | 1.03 | SOHCKWZVTCTQBG-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]CCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c4ccc(cc4)C#N)cc12 |
SMILES | CACTVS | 3.385 | [NH3+]CCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c4ccc(cc4)C#N)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+] |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+] |